SCHEMBL1358036

SCHEMBL1358036

O=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)c1ccccc1Br

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 14/20 0.80
▸ ICAM1 P05362 14/20 0.80
▸ ITGAL P20701 14/20 0.80
▸ ALDH1A1 P00352 1/20 0.63
▸ POLB P06746 1/20 0.63
▸ MAPT P10636 1/20 0.63
▸ HPGD P15428 1/20 0.63
▸ FPR2 P25090 1/20 0.63
▸ ERAP2 Q6P179 1/20 0.63
▸ ALOX15 P16050 1/20 0.63

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
SCHEMBL1358031 1.00 ITGB2 (0.80) ITGB2ICAM1ITGALALDH1A1POLB
SCHEMBL200969 0.90 ITGB2 (0.66) ITGB2ICAM1ITGAL
SCHEMBL30081478 0.88 ITGB2 (0.74) ITGB2ICAM1ITGALALDH1A1POLB
SCHEMBL16834384 0.88 ITGB2 (0.74) ITGB2ICAM1ITGALALDH1A1POLB
SCHEMBL11868630 0.86 ITGB2 (0.80) ITGB2ICAM1ITGALALDH1A1POLB
SCHEMBL12063160 0.86 ITGB2 (0.71) ITGB2ICAM1ITGALALDH1A1POLB
SCHEMBL15145360 0.86 ITGB2 (0.74) ITGB2ICAM1ITGALALDH1A1POLB
SCHEMBL11869604 0.86 ITGB2 (0.80) ITGB2ICAM1ITGALALDH1A1POLB
SCHEMBL11869919 0.86 ITGB2 (0.80) ITGB2ICAM1ITGALALDH1A1POLB
SCHEMBL15780958 0.86 ITGB2 (0.79) ITGB2ICAM1ITGALALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3195861-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DRY EYE DISORDERS SARcode Bioscience Inc. (US) 2017-07-26 — — EP disclosed
US-8927695-B2 Protein-based assays for screening of the IgE-receptor interaction THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-01-06 — — US disclosed
US-20110281365-A1 PROTEIN-BASED ASSAYS FOR SCREENING OF THE IGE-RECEPTOR INTERACTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-11-17 — — US disclosed
EP-1432700-B1 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL MYERS SQUIBB CO (US) 2009-11-04 — — EP disclosed
US-20080269499-A1 CRYSTALLINE FORMS AND PROCESS FOR PREPARING SPIRO-HYDANTOIN COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-30 — — US disclosed
US-7381737-B2 Crystalline forms and process for preparing spiro-hydantoin compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-03 — — US disclosed
US-7375237-B2 Pyrrolizine compounds useful as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-20 — — US disclosed
EP-1836209-A1 CRYSTALLINE FORMS OF6-[(5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7-TRIAZASPIRO[4.4]NON-7-YL]NICOTINIC ACID AS INHIBITORS OF CD18 INTEGRINS, ICAMS AND/OR THE LFA-1:ICAM INTERACTION FOR THE TREATMENT OF INFLAMMATIONS AND IMMUNE DISEASES Bristol-Myers Squibb Company (US) 2007-09-26 — — EP disclosed
EP-1828193-A1 PYRIDIL-SUBSTITUTED SPIRO-HYDANTOIN COMPOUNDS AND USE THEREOF Brystol-Myers Squibb Company (US) 2007-09-05 — — EP disclosed
EP-1802628-A1 CRYSTALLINE FORMS AND PROCESS FOR PREPARING SPIRO-HYDANTOIN COMPOUNDS Bristol-Myers Squibb Company (US) 2007-07-04 — — EP disclosed
US-20040009998-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents CEREP SA (FR) 2004-01-15 — — US disclosed
US-6673825-B2 ANTIINFLAMMATORY AGENTS; IMMUNOSUPPRESSANTS BRISTOL-MYERS SQUIBB CO. 2004-01-06 — — US disclosed
EP-1339718-A1 HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS Bristol-Myers Squibb Company (US) 2003-09-03 — — EP disclosed
WO-2003029245-A1 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-10 — — WO disclosed
US-20030013745-A1 Urazole compounds useful as anti-inflammatory agents CEREP SA (FR) 2003-01-16 — — US disclosed
WO-2002094186-A2 URAZOLE COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-11-28 — — WO disclosed
US-20020143035-A1 Hydantoin compounds useful as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY 2002-10-03 — — US disclosed
WO-2002044181-A1 HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-06-06 — — WO disclosed
EP-1063982-A2 ANTAGONISTS FOR TREATMENT OF CD11/CD18 ADHESION RECEPTOR MEDIATED DISORDERS Genentech, Inc. (US) 2001-01-03 — — EP disclosed
WO-1999049856-A2 ANTAGONISTS FOR TREATMENT OF CD11/CD18 ADHESION RECEPTOR MEDIATED DISORDERS GENENTECH, INC. (US) 1999-10-07 — — 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 (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-20080269499-A1 CRYSTALLINE FORMS AND PROCESS FOR PREPARING SPIRO-HYDANTOIN COMPOUNDS H1-4, NR4A1, IL4 ITGB2 1822/4885ICAM1 3505/4885ITGAL 790/4885
US-20040009998-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents ICAM1, VCAM1, SELL ITGB2 16/4885ICAM1 1/4885ITGAL 11/4885
US-20020143035-A1 Hydantoin compounds useful as anti-inflammatory agents HRH4, IL4I1, HRH2 ITGB2 4732/4885ICAM1 555/4885ITGAL 3218/4885
US-20030013745-A1 Urazole compounds useful as anti-inflammatory agents TPMT, IL4, IL5 ITGB2 3006/4885ICAM1 863/4885ITGAL 2005/4885

“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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