SCHEMBL90937

SCHEMBL90937

Cc1cccc2c1OCCO2

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.50
ICAM1 P05362 1/20 0.50
ITGAL P20701 1/20 0.50
MAP3K14 Q99558 1/20 0.48
MTNR1A P48039 6/20 0.45
LMNA P02545 2/20 0.44
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
ADRB1 P08588 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40

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
SCHEMBL15982282 0.94 SMN1; SMN2 (0.56) ITGB2ICAM1ITGALMAP3K14MTNR1A
SCHEMBL15982274 0.94 SMN1; SMN2 (0.56) ITGB2ICAM1ITGALMAP3K14MTNR1A
SCHEMBL15982298 0.94 SMN1; SMN2 (0.56) ITGB2ICAM1ITGALMAP3K14MTNR1A
SCHEMBL436487 0.91 MAP3K14 (0.46) ITGB2ICAM1ITGALMAP3K14MTNR1A
SCHEMBL669020 0.84 MTNR1A (0.42) ITGB2ICAM1ITGALMAP3K14MTNR1A
SCHEMBL423289 0.82 ABCG2 (0.50) MAP3K14
O-Xylene SCHEMBL522767 0.78 ITGB2 (0.74) ITGB2ICAM1ITGALMAP3K14LMNA
SCHEMBL2306687 0.77 ITGB2 (0.50) ITGB2ICAM1ITGALMTNR1ALMNA
SCHEMBL3072409 0.76 ITGB2 (0.55) ITGB2ICAM1ITGALMTNR1ALMNA
SCHEMBL6569085 0.75 MAP3K14 (0.36) MAP3K14SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 US disclosed
WO-2024130342-A1 TRANSIENT RECEPTOR POTENTIAL VANILLOID 6 INHIBITORS UNIQUEST PTY LIMITED (AU) 2024-06-27 WO disclosed
EP-4308575-A1 MACROCYCLES AS CFTR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2024-01-24 EP disclosed
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
US-20230348436-A1 COMPOUNDS FOR TREATING TUBERCULOSIS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2023-11-02 US disclosed
EP-4269405-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR Shanghai Kechow Pharma, Inc. (CN) 2023-11-01 EP disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
EP-4219465-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme Inc (US) 2023-08-02 EP disclosed
EP-3498701-B1 PRMT5 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2023-02-22 EP disclosed
CN-1197797-A New heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1998-11-04 CN disclosed
EP-0873993-A1 Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-10-28 EP disclosed
US-5663189-A RESPIRATORY, EYES, GASTROINTESTINAL THE PROCTER & GAMBLE COMPANY (US) 1997-09-02 US disclosed
EP-0496342-B1 New hydrazine derivative and pesticidal composition comprising said derivative as an effective ingredient NIPPON KAYAKU KK (JP) 1996-11-27 EP disclosed
EP-0741709-A1 AROMATIC 2-AMINO-IMIDAZOLE DERIVATIVES AS ALPHA-2A ADRENOCEPTOR AGONISTS Allergan (US) 1996-11-13 EP disclosed
US-5530021-A AGRICULTURAL INSECTICIDES NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1996-06-25 US disclosed
WO-1995019968-A1 AROMATIC 2-AMINO-IMIDAZOLE DERIVATIVES AS ALPHA-2A ADRENOCEPTOR AGONISTS ALLERGAN (US) 1995-07-27 WO disclosed
US-5378726-A Insecticide, parasiticide NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1995-01-03 US disclosed
EP-0496342-A1 New hydrazine derivative and pesticidal composition comprising said derivative as an effective ingredient Nippon Kayaku Kabushiki Kaisha (JP) 1992-07-29 EP disclosed
EP-0359290-A1 Aromatic diols GLAXO GROUP LIMITED (GB) 1990-03-21 EP 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-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 ITGB2 1499/4885ICAM1 3648/4885ITGAL 2788/4885
US-20230348436-A1 COMPOUNDS FOR TREATING TUBERCULOSIS DOT1L, HAT1, UQCRB ITGB2 2911/4885ICAM1 4696/4885ITGAL 1805/4885
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 ITGB2 1180/4885ICAM1 4087/4885ITGAL 1944/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ITGB2 4161/4885ICAM1 4769/4885ITGAL 4168/4885

“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.