SCHEMBL15901552

SCHEMBL15901552

C=C(Br)C(=O)Nc1ccc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)c(S(=O)(=O)[O-])c1.[Na+].[Na+]

nearest known ligand 0.67

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 10)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 known ✓ Q9H244 13/20 0.67
▸ P2RY2 known ✓ P41231 6/20 0.62
▸ ADORA1 known ✓ P30542 1/20 0.62
▸ P2RY4 known ✓ P51582 7/20 0.61
▸ P2RY6 known ✓ Q15077 3/20 0.61
▸ P2RY1 known ✓ P47900 1/20 0.60
▸ ENTPD1 P49961 2/20 0.61
▸ MET P08581 1/20 0.60
▸ HGF P14210 1/20 0.60
▸ CDK2 P24941 1/20 0.60

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
SCHEMBL29462119 1.00 P2RY12 (0.67) P2RY12P2RY2ADORA1P2RY4P2RY6
SCHEMBL12172884 0.89 GNG2 (0.61) P2RY12P2RY2P2RY4P2RY6ENTPD1
SCHEMBL18493688 0.88 GNG2 (0.60) P2RY12P2RY2P2RY4P2RY6ENTPD1
SCHEMBL31616878 0.82 P2RY2 (0.81) P2RY12P2RY2P2RY4P2RY6ENTPD1
SCHEMBL3019529 0.81 P2RY12 (1.00) P2RY12P2RY2ADORA1P2RY4P2RY6
SCHEMBL29395314 0.81 P2RY12 (1.00) P2RY12P2RY2ADORA1P2RY4P2RY6
SCHEMBL30504038 0.81 P2RY12 (1.00) P2RY12P2RY2ADORA1P2RY4P2RY6
SCHEMBL3911861 0.80 P2RY12 (0.68) P2RY12P2RY2ADORA1P2RY4P2RY6
SCHEMBL1592192 0.79 PHLPP2 (0.67) P2RY12P2RY2P2RY4P2RY6ENTPD1
SCHEMBL3032350 0.78 P2RY4 (0.80) P2RY12P2RY2P2RY4P2RY6MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210308319-A1 TRANSITION TO TRANSLUCENT SUTURES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-10-07 — — US claimed
WO-2020028666-A1 TRANSITION TO TRANSLUCENT SUTURES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-02-06 — — WO claimed
US-12629345-B2 Methods, compositions, and devices for drug / live cell microarrays PATHAK HOLDINGS LLC (US) 2026-05-19 — — US disclosed
US-20260097181-A1 GRADIENT ANNEALING OF POLYMERIC COMPONENTS Access Vascular, Inc. (US) 2026-04-09 — — US disclosed
US-20250237787-A1 SILICONE BIOMEDICAL DEVICE WITH POLYMERIZABLE GLYCOSAMINOGLYCANS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR AGENT 2025-07-24 — — US disclosed
US-20250186372-A1 FLEXIBLE INTERCONNECTED MICROPARTICLES ARRAYS: DEVICES, METHODS, COMPOSITIONS AND APPLICATIONS PATHAK HOLDINGS LLC 2025-06-12 — — US disclosed
US-20240399110-A1 ARTICLES COMPRISING MARKINGS AND RELATED METHODS Access Vascular, Inc. (US) 2024-12-05 — — US disclosed
US-20240399329-A1 CROSSLINKED MULTILAYERED MATERIAL COMPOSITIONS, METHODS FOR THEIR PREPARATION AND APPLICATIONS THEREOF PATHAK HOLDINGS LLC 2024-12-05 — — US disclosed
US-20240252452-A1 METHODS, COMPOSITIONS, AND DEVICES FOR DRUG / LIVE CELL MICROARRAYS PATHAK HOLDINGS LLC 2024-08-01 — — US disclosed
US-11992627-B2 Articles comprising markings and related methods Access Vascular, Inc. (US) 2024-05-28 — — US disclosed
US-11969398-B2 Methods, compositions, and devices for making sustained biodegradable implants in tissue PATHAK HOLDINGS LLC (US) 2024-04-30 — — US disclosed
US-20140284501-A1 PROCESSING MATERIALS XYLECO, INC. 2014-09-25 — — US disclosed
US-20140287469-A1 FILTRATION XYLECO, INC. 2014-09-25 — — US disclosed
US-20140286714-A1 PROCESSING MATERIALS XYLECO, INC. 2014-09-25 — — US disclosed
US-20140284494-A1 RECONFIGUREABLE PROCESSING ENCLOSURES INC., XYLECO 2014-09-25 — — US disclosed
US-20140271897-A1 COMPOSITIONS, METHODS AND DEVICES FOR LOCAL DRUG DELIVERY Pathak Holding, LLC (US) 2014-09-18 — — US disclosed
WO-2014138545-A1 ARRAY FOR PROCESSING MATERIALS XYLECO, INC. (US) 2014-09-12 — — WO disclosed
WO-2014138548-A1 RECONFIGURABLE PROCESSING ENCLOSURES XYLECO, INC. (US) 2014-09-12 — — WO disclosed
WO-2014138535-A1 FILTRATION XYLECO, INC. (US) 2014-09-12 — — WO disclosed
US-20140209093-A1 PROCESSING BIOMASS XYLECO, INC. (US) 2014-07-31 — — 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 (2 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-12629345-B2 Methods, compositions, and devices for drug / live cell microarrays SRMS, FKBP4, MYL4 P2RY12 2383/4885P2RY2 2322/4885ADORA1 3880/4885
US-20260097181-A1 GRADIENT ANNEALING OF POLYMERIC COMPONENTS AQP3, AQP1, ELOC P2RY12 4055/4885P2RY2 4099/4885ADORA1 3811/4885

“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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