Sugi Predict

Sugi Predict / Compounds / SCHEMBL2335337

SCHEMBL2335337

SCHEMBL2335337

COC(=O)c1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.60
▸ ITGB3 P05106 2/20 0.60
▸ ITGA2B P08514 2/20 0.60
▸ PPARA Q07869 9/20 0.56
▸ PPARG P37231 8/20 0.56
▸ PPARD Q03181 2/20 0.56
▸ ITGA4 P13612 1/20 0.54
▸ ITGB7 P26010 1/20 0.54
▸ CTSS P25774 6/20 0.54
▸ CTSK P43235 5/20 0.54
▸ CTSL P07711 1/20 0.53
▸ CTSB P07858 1/20 0.53
▸ ITGB1 P05556 1/20 0.53
▸ ITGAV P06756 1/20 0.53
▸ ITGB5 P18084 1/20 0.53
▸ APP P05067 1/20 0.51

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
SCHEMBL2335345 1.00 ACE (0.60) ACEITGB3ITGA2BPPARAPPARG
SCHEMBL9956011 1.00 ACE (0.60) ACEITGB3ITGA2BPPARAPPARG
SCHEMBL3728971 0.96 CTSS (0.58) ACEITGB3ITGA2BPPARAPPARG
SCHEMBL3728970 0.96 CTSS (0.58) ACEITGB3ITGA2BPPARAPPARG
SCHEMBL7390262 0.93 ACE (0.61) ACEITGB3ITGA2BPPARAPPARG
SCHEMBL5374891 0.93 ACE (0.61) ACEITGB3ITGA2BPPARAPPARG
SCHEMBL16991005 0.91 PTPN1 (0.63) ACEITGB3ITGA2BPPARAPPARG
SCHEMBL16991003 0.91 PTPN1 (0.63) ACEITGB3ITGA2BPPARAPPARG
SCHEMBL2686297 0.90 CTSS (0.51) ACEITGB3ITGA2BPPARAPPARG
SCHEMBL7388520 0.89 ACE (0.62) ACEITGB3ITGA2BPPARAPPARG

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2534152-B1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-02 — — EP disclosed
US-9745313-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-29 — — US disclosed
US-20160362414-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-12-15 — — US disclosed
US-9453029-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-27 — — US disclosed
US-20150266894-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-24 — — US disclosed
US-9079918-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-14 — — US disclosed
US-20140343276-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-11-20 — — US disclosed
US-8828983-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-09 — — US disclosed
EP-2534152-A1 MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2012-12-19 — — EP disclosed
US-20120309960-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY 2012-12-06 — — US disclosed
WO-2011100402-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 — — WO disclosed
US-20080269240-A1 Novel Adenine Compound Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2008-10-30 — — US disclosed
EP-1939199-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 — — EP disclosed
US-7205435-B2 Type B botulism toxin inhibitors INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2007-04-17 — — US disclosed
US-20040176333-A1 Type b botulism toxin inhibitors INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2004-09-09 — — US disclosed
EP-0460679-B1 Endothelin antagonistic peptide derivatives BANYU PHARMA CO LTD (JP) 1998-10-28 — — EP disclosed
US-5691315-A CARDIOVASCULAR DISORDERS; VASODILATOR; BRONCHODILATOR BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-11-25 — — US disclosed
US-5470833-A Vasodilators, bronchodilators BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-11-28 — — US disclosed
US-5444152-A Vasolidator or bronchodilator BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-22 — — US disclosed
EP-0460679-A2 Endothelin antagonistic peptide derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-12-11 — — 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 (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-20080269240-A1 Novel Adenine Compound ADORA1, ADORA2A, ADORA3 ACE 975/4885ITGB3 2870/4885ITGA2B 2000/4885
US-20140343276-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 ACE 212/4885ITGB3 2781/4885ITGA2B 1691/4885
US-20040176333-A1 Type b botulism toxin inhibitors GZMB, CFB, MAOB ACE 868/4885ITGB3 2381/4885ITGA2B 572/4885
US-20150266894-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 ACE 212/4885ITGB3 2781/4885ITGA2B 1691/4885
US-20160362414-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 ACE 212/4885ITGB3 2781/4885ITGA2B 1691/4885
US-20120309960-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 ACE 212/4885ITGB3 2781/4885ITGA2B 1691/4885

“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.