SCHEMBL1722920

SCHEMBL1722920

Sc1ccc2c(c1)OCCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
LMNA P02545 4/20 0.48
MAPT P10636 3/20 0.48
HTT P42858 2/20 0.48
BLM P54132 1/20 0.48
ITGB2 P05107 1/20 0.48
ICAM1 P05362 1/20 0.48
ITGAL P20701 1/20 0.48
POLB P06746 1/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 1/20 0.47
ATM Q13315 1/20 0.46
ALOX5 P09917 1/20 0.45
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
HPGD P15428 2/20 0.43
KMT2A Q03164 1/20 0.43
PKM P14618 1/20 0.43
CRHBP P24387 2/20 0.42

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
SCHEMBL29472049 1.00 TSHR (0.50) TSHRLMNAMAPTHTTBLM
SCHEMBL24196489 0.91 NPC1 (0.49) TSHRLMNAMAPTHTTBLM
SCHEMBL30375718 0.85 CYP3A4 (0.54) MAPTPOLBGAAATMHPGD
SCHEMBL3519494 0.85 CYP3A4 (0.54) MAPTPOLBGAAATMHPGD
SCHEMBL19141318 0.76 CHRM2 (0.41) TSHRMAPTITGB2ICAM1ITGAL
SCHEMBL7001572 0.75 LMNA (0.48) TSHRLMNAMAPTHTTBLM
SCHEMBL16168286 0.75 PRKCI (0.52) MAPTPKMSMN1; SMN2
SCHEMBL30375453 0.75 PRKCI (0.52) MAPTPKMSMN1; SMN2
SCHEMBL15677665 0.74 ALOX5 (0.72) TSHRLMNAMAPTHTTBLM
SCHEMBL8870588 0.73 LMNA (0.52) TSHRLMNAMAPTHTTBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024057020-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2024-03-21 WO disclosed
WO-2023223055-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2023-11-23 WO disclosed
CN-111837198-B Conductive polymer conductor and method for producing same 感性丝绸株式会社 2022-03-18 CN disclosed
WO-2021218752-A1 SHP2 INHIBITORS, COMPOSITIONS AND USES THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2021-11-04 WO disclosed
WO-2020247701-A2 INHIBITORS OF SARM1 DISARM THERAPEUTICS, INC. (US) 2020-12-10 WO disclosed
CN-111837198-A Conductive polymer conductor and method for producing same 感性丝绸株式会社 2020-10-27 CN disclosed
EP-3222688-A1 FILM-FORMING COMPOSITION CONTAINING CROSSLINKABLE REACTIVE SILICONE Nissan Chemical Industries, Ltd. (JP) 2017-09-27 EP disclosed
US-9707230-B2 Activators of human pyruvate kinase THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-07-18 US disclosed
EP-3173415-A2 ACTIVATORS OF HUMAN PYRUVATE KINASE The U.S.A. as represented by the Secretary, Department of Health and Human Services (US) 2017-05-31 EP disclosed
EP-2344453-B1 ACTIVATORS OF HUMAN PYRUVATE KINASE US HEALTH (US) 2016-12-28 EP disclosed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US disclosed
EP-1294704-A1 ARYL PHENYLHETEROCYCLYL SULFIDE DERIVATIVES AND THEIR USE AS CELL ADHESION-INHIBITING ANTI-INFLAMMATORY AND IMMUNE-SUPPRESSIVE AGENTS ABBOTT LABORATORIES (US) 2003-03-26 EP disclosed
US-20020132807-A1 Aryl phenylheterocyclyl sulfide derivatives and their use as cell adhesion-inhibiting anti-inflammatory and immune-suppressive agents ICOS CORPORATION 2002-09-19 US disclosed
CN-1353691-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2002-06-12 CN disclosed
CN-1350520-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2002-05-22 CN disclosed
WO-2002002539-A1 ARYL PHENYLHETEROCYCLYL SULFIDE DERIVATIVES AND THEIR USE AS CELL ADHESION-INHIBITING ANTI-INFLAMMATORY AND IMMUNE-SUPPRESSIVE AGENTS ABBOTT LABORATORIES (US) 2002-01-10 WO disclosed
EP-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP disclosed
EP-1140814-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2001-10-10 EP disclosed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO disclosed
WO-2000039081-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-07-06 WO 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 (1 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-20020132807-A1 Aryl phenylheterocyclyl sulfide derivatives and their use as cell adhesion-inhibiting anti-inflammatory and immune-suppressive agents VCAM1, ICAM1, CD47 TSHR 3676/4885LMNA 4870/4885MAPT 4502/4885

“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.