SCHEMBL29455562

SCHEMBL29455562

O=C(Nc1ccccc1)Nc1ccc(/C=C/c2ccc(NC(=O)Nc3ccccc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]

nearest known ligand 0.61

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 known ✓ O43570 2/20 0.50
▸ CA1 known ✓ P00915 2/20 0.50
▸ CA2 known ✓ P00918 2/20 0.50
▸ RAD51 Q06609 6/20 0.61
▸ ENPP2 Q13822 1/20 0.56
▸ CA9 Q16790 2/20 0.50
▸ KCNJ6 P48051 1/20 0.50
▸ KCNJ5 P48544 1/20 0.50
▸ KCNJ3 P48549 1/20 0.50
▸ APEX1 P27695 1/20 0.48
▸ MAPT P10636 3/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ EPHX1 P07099 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ CDK9 P50750 1/20 0.47
▸ CLK4 Q9HAZ1 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17255097 1.00 RAD51 (0.61) RAD51ENPP2CA12CA1CA2
SCHEMBL4057351 1.00 RAD51 (0.61) RAD51ENPP2CA12CA1CA2
SCHEMBL9321648 0.86 ENPP2 (0.74) ENPP2CA12CA1CA2CA9
SCHEMBL14437899 0.86 ENPP2 (0.74) ENPP2CA12CA1CA2CA9
SCHEMBL31389389 0.85 RAD51 (0.72) RAD51CA12CA1CA2CA9
SCHEMBL15282738 0.84 ENPP2 (0.72) ENPP2CA12CA1CA2CA9
SCHEMBL17255098 0.84 ENPP2 (0.72) ENPP2CA12CA1CA2CA9
SCHEMBL26977995 0.84 ENPP2 (0.72) ENPP2CA12CA1CA2CA9
SCHEMBL15210455 0.83 MAPT (0.54) RAD51CA12CA1CA2CA9
SCHEMBL31389377 0.82 RAD51 (0.70) RAD51APEX1MAPTTP53ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260144801-A1 COMPOSITIONS AND METHODS FOR PREVENTING OR TREATING MUSCLE CONDITIONS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2026-05-28 — — US disclosed
EP-4605585-A2 METHODS FOR DETECTING ANTI-PORCINE ANTIBODIES New York University (US) 2025-08-27 — — EP disclosed
US-20250250548-A1 METHODS AND COMPOSITIONS FOR TREATING NEGATIVE-SENSE SINGLE-STRANDED RNA VIRUS THE UNIVERSITY OF CHICAGO (US) 2025-08-07 — — US disclosed
US-20250195637-A1 VACCINE COMPOSITION AGAINST TWO RESPIRATORY VIRUSES UNIVERSITE CLAUDE BERNARD LYON 1 (FR) 2025-06-19 — — US disclosed
US-20250082784-A1 FORMULATIONS FOR SMALL INTESTINAL DELIVERY OF RSV AND NOROVIRUS ANTIGENS VAXART, INC. 2025-03-13 — — US disclosed
US-12227769-B2 Methods and compositions for treating negative-sense single-stranded RNA virus THE UNIVERSITY OF CHICAGO (US) 2025-02-18 — — US disclosed
US-12186407-B2 Formulations for small intestinal delivery of RSV and norovirus antigens VAXART, INC. (US) 2025-01-07 — — US disclosed
US-12181735-B2 Optical element or polarizing plate, and eyewear using same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2024-12-31 — — US disclosed
US-12138306-B2 FcRn-targeted mucosal vaccination against RSV UNIVERSITY OF MARYLAND (US) 2024-11-12 — — US disclosed
US-20240315989-A1 METHODS OF TREATING COVID-19 WASHINGTON UNIVERSITY 2024-09-26 — — US disclosed
US-20220229315-A1 Optical Element Or Polarizing Plate, And Eyewear Using Same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2022-07-21 — — US disclosed
US-20220220157-A1 ADENOVIRUS POLYNUCLEOTIDES AND POLYPEPTIDES GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2022-07-14 — — US disclosed
CN-114730029-A Polarized light emitting element, polarized light emitting panel and display device 日本化药株式会社 2022-07-08 — — CN disclosed
US-11376317-B2 FcRn-targeted mucosal vaccination against RSV UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2022-07-05 — — US disclosed
WO-2022125686-A1 PRECISION ENGINEERING OF A CELLULAR SENSE-AND-RESPONSE FUNCTION GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF COMMERCE (US) 2022-06-16 — — WO disclosed
US-20220183308-A1 HUMAN MILK PRODUCTS USEFUL IN PRE- AND POST-OPERATIVE CARE HAYFIN SERVICES LLP, AS COLLATERAL AGENT (GB) 2022-06-16 — — US disclosed
US-11344041-B2 Human milk products useful in pre- and post-operative care PROLACTA BIOSCIENCE, INC. (US) 2022-05-31 — — US disclosed
US-20220088169-A1 VIRUS VACCINE GRIFFITH UNIVERSITY (AU) 2022-03-24 — — US disclosed
EP-3971636-A1 OPTICAL ELEMENT OR POLARIZING PLATE, AND EYEWEAR USING SAME Nippon Kayaku Kabushiki Kaisha (JP) 2022-03-23 — — EP disclosed
US-11254711-B2 Adenovirus polynucleotides and polypeptides GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2022-02-22 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11376317-B2 FcRn-targeted mucosal vaccination against RSV FCGRT, FCGR3B, FCGR2A CA12 1937/4885CA1 3270/4885CA2 3542/4885
US-12138306-B2 FcRn-targeted mucosal vaccination against RSV FCGRT, FCGR3B, FCGR2A CA12 1937/4885CA1 3270/4885CA2 3542/4885
US-20240315989-A1 METHODS OF TREATING COVID-19 SIGMAR1, HTR1A, SGMS1 CA12 3697/4885CA1 3576/4885CA2 2642/4885
US-20260144801-A1 COMPOSITIONS AND METHODS FOR PREVENTING OR TREATING MUSCLE CONDITIONS CPT1B, HPGD, PTGES CA12 4105/4885CA1 3654/4885CA2 2882/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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