SCHEMBL106413

SCHEMBL106413

[c]1ccc2c(c1)OCCCO2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
LMNA P02545 2/20 0.34
CRHBP P24387 2/20 0.34
CRHR2 Q13324 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.30
PDK1 Q15118 1/20 0.30

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
SCHEMBL20030 0.91 ITGB2 (0.48) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL27343450 0.88 ITGB2 (0.46) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL11748070 0.84 LMNA (0.54) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL27765909 0.83 ITGB2 (0.41) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL20662 0.81
SCHEMBL20741840 0.81 ITGB2 (0.34) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL27423032 0.79 ABCG2 (0.46) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL4986425 0.77
SCHEMBL20741878 0.77 ABCG2 (0.33)
SCHEMBL132193 0.77 CLK1 (0.36) ITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3292114-B1 1-HETEROARYL-INDOLINE-4-CARBOXAMIDES AS MODULATORS OF GPR52 USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2020-03-11 EP claimed
EP-3227300-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-06-19 EP claimed
US-10294246-B2 Substituted boronic acids and boronate esters as immunoproteasome inhibitors MERCK PATENT GMBH (DE) 2019-05-21 US claimed
EP-3292114-A1 1-HETEROARYL-INDOLINE-4-CARBOXAMIDES AS MODULATORS OF GPR52 USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2018-03-14 EP claimed
US-9890171-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-13 US claimed
EP-3227300-A1 ALDOSTERONE SYNTHASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2017-10-11 EP claimed
US-20170267688-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-09-21 US claimed
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 claimed
US-9676758-B2 1-heteroaryl-indoline-4-carboxamides as modulators of GPR52 useful for the treatment or prevention of disorders related thereto Arena Pharmaceutical, Inc. (US) 2017-06-13 US claimed
EP-2344453-B1 ACTIVATORS OF HUMAN PYRUVATE KINASE US HEALTH (US) 2016-12-28 EP claimed
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP claimed
WO-2004067529-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS ELI LILLY AND COMPANY (US) 2004-08-12 WO claimed
US-20040087594-A1 Diaminothiazoles having antiproliferative activity DING QINGJIE (US) 2004-05-06 US claimed
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 US claimed
EP-1358169-A2 DIAMINOTHIAZOLES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASE F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP claimed
US-20030109559-A1 N-(3-amino-2-hydroxy-propyl)substituted alkylamide compounds PHARMACIA & UPJOHN COMPANY 2003-06-12 US claimed
EP-1289980-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP claimed
US-20020151554-A1 Diaminothiazoles having antiproliferative activity CHEN LI (US) 2002-10-17 US claimed
WO-2002057261-A2 DIAMINOTHIAZOLES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASE F. HOFFMANN-LA ROCHE AG (CH) 2002-07-25 WO claimed
WO-2001090100-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-29 WO claimed

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

For each of this compound's patents that has machine-readable text (6 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-20040087594-A1 Diaminothiazoles having antiproliferative activity CDK4, CDK2, CDKL4 ITGB2 3207/4885ICAM1 4799/4885ITGAL 3554/4885
US-20030109559-A1 N-(3-amino-2-hydroxy-propyl)substituted alkylamide compounds BACE1, APP, BACE2 ITGB2 2129/4885ICAM1 3591/4885ITGAL 2679/4885
US-20020151554-A1 Diaminothiazoles having antiproliferative activity CDK4, CDK2, CDKL4 ITGB2 3207/4885ICAM1 4799/4885ITGAL 3554/4885
US-20170267688-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP11B1, CYP21A2, CYP11B2 ITGB2 4118/4885ICAM1 2979/4885ITGAL 3977/4885
US-10294246-B2 Substituted boronic acids and boronate esters as immunoproteasome inhibitors PSMB7, PSMA7, PSMB11 ITGB2 4741/4885ICAM1 3896/4885ITGAL 4403/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 ITGB2 156/4885ICAM1 658/4885ITGAL 292/4885

“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.