SCHEMBL1920255

SCHEMBL1920255

CCC(C)CCOS(N)(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 19/20 0.54
CA2 P00918 19/20 0.54
CA9 Q16790 14/20 0.52
CA12 O43570 5/20 0.47
CA7 P43166 5/20 0.47
CA14 Q9ULX7 5/20 0.47
CA3 P07451 3/20 0.47
CA4 P22748 3/20 0.47
CA6 P23280 3/20 0.47
CA5A P35218 3/20 0.47
CA5B Q9Y2D0 3/20 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
SCHEMBL18063393 1.00 CA1 (0.54) CA1CA2CA9CA12CA7
SCHEMBL18086664 1.00 CA1 (0.54) CA1CA2CA9CA12CA7
SCHEMBL18086670 0.81 CA1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL8064670 0.80 USP2 (0.48) CA1CA2CA9
SCHEMBL5636350 0.80 USP2 (0.48) CA1CA2CA9
SCHEMBL2585295 0.79 CA1 (0.54) CA1CA2CA9CA12CA7
SCHEMBL18063462 0.78 LMNA (0.48) CA1CA2CA9CA12CA7
SCHEMBL2581605 0.77 CA1 (0.52) CA1CA2CA9CA12CA7
SCHEMBL2591059 0.77 CA1 (0.77) CA1CA2CA9CA12CA7
SCHEMBL2584427 0.76 CA1 (0.74) CA1CA2CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104877001-B Antifungal formulations 西尼克斯公司 2020-07-03 CN disclosed
US-9770711-B2 General catalyst for C-H functionalization THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-09-26 US disclosed
US-9770711-B2 General catalyst for C-H functionalization THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-09-26 US disclosed
US-9770711-B2 General catalyst for C-H functionalization THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-09-26 US disclosed
US-20160272662-A1 GENERAL CATALYST FOR C-H FUNCTIONALIZATION THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-09-22 US disclosed
US-20160272662-A1 GENERAL CATALYST FOR C-H FUNCTIONALIZATION THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-09-22 US disclosed
US-20160272662-A1 GENERAL CATALYST FOR C-H FUNCTIONALIZATION THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-09-22 US disclosed
US-8722727-B2 Antifungal agents Seynix, Inc. (US) 2014-05-13 US disclosed
US-8722727-B2 Antifungal agents Seynix, Inc. (US) 2014-05-13 US disclosed
US-8722727-B2 Antifungal agents Seynix, Inc. (US) 2014-05-13 US disclosed
US-20110224228-A1 ANTIFUNGAL AGENTS MERCK SHARP & DOHME CORP. (US) 2011-09-15 US disclosed
US-20110224228-A1 ANTIFUNGAL AGENTS MERCK SHARP & DOHME CORP. (US) 2011-09-15 US disclosed
EP-2326181-A1 ANTIFUNGAL AGENTS Merck Sharp & Dohme Corp. (US) 2011-06-01 EP disclosed
EP-2326180-A1 ANTIFUNGAL AGENTS Merck Sharp & Dohme Corp. (US) 2011-06-01 EP disclosed
US-20100113439-A1 Antifungal agents MERCK & CO., INC. (US) 2010-05-06 US disclosed
US-20100113439-A1 Antifungal agents MERCK & CO., INC. (US) 2010-05-06 US disclosed
US-20100113439-A1 Antifungal agents MERCK & CO., INC. (US) 2010-05-06 US disclosed
WO-2010019206-A1 ANTIFUNGAL AGENTS MERCK SHARP & DOHME CORP. (US) 2010-02-18 WO disclosed
WO-2010019204-A1 ANTIFUNGAL AGENTS MERCK SHARP & DOHME CORP. (US) 2010-02-18 WO disclosed
WO-2010019204-A1 ANTIFUNGAL AGENTS MERCK SHARP & DOHME CORP. (US) 2010-02-18 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 (3 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-20110224228-A1 ANTIFUNGAL AGENTS GMDS, GBA3, UGGT1 CA1 1811/4885CA2 2209/4885CA9 921/4885
US-20160272662-A1 GENERAL CATALYST FOR C-H FUNCTIONALIZATION BET1, PLEC, NUDC CA1 555/4885CA2 1192/4885CA9 517/4885
US-20100113439-A1 Antifungal agents GMDS, GBA3, UGGT1 CA1 2019/4885CA2 2293/4885CA9 1007/4885

“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.