SCHEMBL19851257

SCHEMBL19851257

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.64
ITGA2B P08514 3/20 0.64
ACE P12821 1/20 0.56
PTPN1 P18031 3/20 0.55
CTSS P25774 6/20 0.52
CTSK P43235 5/20 0.52
ITGA4 P13612 2/20 0.51
ITGB7 P26010 2/20 0.51
PPARA Q07869 4/20 0.49
PPARG P37231 3/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
HDAC8 Q9BY41 1/20 0.48
ITGB1 P05556 1/20 0.47
ITGAV P06756 1/20 0.47
ITGB5 P18084 1/20 0.47
PPARD Q03181 1/20 0.47

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
SCHEMBL6996970 1.00 ITGB3 (0.64) ITGB3ITGA2BACEPTPN1CTSS
SCHEMBL20437145 0.89 ITGB3 (0.52) ITGB3ITGA2BACEPTPN1CTSS
SCHEMBL29663697 0.89 ITGB3 (0.52) ITGB3ITGA2BACEPTPN1CTSS
SCHEMBL22193729 0.88 CTSS (0.53) ITGB3ITGA2BPTPN1CTSSCTSK
SCHEMBL6996966 0.87 ITGB3 (0.50) ITGB3ITGA2BACEPTPN1CTSS
SCHEMBL14601773 0.86 ITGB3 (0.55) ITGB3ITGA2BACEPPARG
SCHEMBL28736965 0.85 ITGB3 (0.47) ITGB3ITGA2BPTPN1CTSSCTSK
SCHEMBL28736964 0.85 ITGB3 (0.47) ITGB3ITGA2BPTPN1CTSSCTSK
SCHEMBL2780406 0.85 ACE (0.55) ITGB3ITGA2BACEPTPN1CTSS
SCHEMBL31344368 0.85 ACE (0.55) ITGB3ITGA2BACEPTPN1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108456194-B Triazole antibacterial derivative, and pharmaceutical composition and application thereof 武汉朗来科技发展有限公司 2021-06-22 CN disclosed
US-11040958-B2 Triazole antimicrobial derivative, pharmaceutical composition and use thereof WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2021-06-22 US disclosed
US-10954236-B2 Tyrosine amide derivatives as Rho-Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2021-03-23 US disclosed
EP-3573987-B1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARM SPA (IT) 2021-03-10 EP disclosed
CN-107033186-B Posaconazole derivatives, pharmaceutical compositions and uses thereof 武汉朗来科技发展有限公司 2020-06-09 CN disclosed
US-20200079774-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2020-03-12 US disclosed
US-10238623-B2 C14-hydroxyl esterified amino acid derivative of triptolide, and preparation method and use thereof HANGZHOU WEBEN PHARMACEUTICALS INC (CN) 2019-03-26 US disclosed
US-20190038621-A1 POSACONAZOLE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2019-02-07 US disclosed
US-20180215758-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2018-08-02 US disclosed
US-20180036277-A1 C14-HYDROXYL ESTERIFIED AMINO ACID DERIVATIVE OF TRIPTOLIDE, AND PREPARATION METHOD AND USE THEREOF HANGZHOU WEBEN PHARMACEUTICALS INC (CN) 2018-02-08 US 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 (7 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-20180036277-A1 C14-HYDROXYL ESTERIFIED AMINO ACID DERIVATIVE OF TRIPTOLIDE, AND PREPARATION METHOD AND USE THEREOF MYC, MYCBP, MYCBP2 ITGB3 4741/4885ITGA2B 3359/4885ACE 3227/4885
US-20190038621-A1 POSACONAZOLE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE THEREOF CYP3A43, ERG28, SORD ITGB3 705/4885ITGA2B 2161/4885ACE 1608/4885
US-10954236-B2 Tyrosine amide derivatives as Rho-Kinase inhibitors ROCK1, ROCK2, CIT ITGB3 2624/4885ITGA2B 2602/4885ACE 1109/4885
US-20200079774-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, CIT ITGB3 2624/4885ITGA2B 2602/4885ACE 1109/4885
US-10238623-B2 C14-hydroxyl esterified amino acid derivative of triptolide, and preparation method and use thereof MYC, MYCBP, MYCBP2 ITGB3 4741/4885ITGA2B 3359/4885ACE 3227/4885
US-11040958-B2 Triazole antimicrobial derivative, pharmaceutical composition and use thereof SLCO1B3, CYP3A43, GSK3B ITGB3 526/4885ITGA2B 3255/4885ACE 1385/4885
US-20180215758-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, CIT ITGB3 2624/4885ITGA2B 2602/4885ACE 1109/4885

“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.