SCHEMBL4342850

SCHEMBL4342850

Cc1c(C(=O)C(C)(C)C)sc2ccc(F)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 6/20 0.41
BCKDK O14874 1/20 0.40
GPR35 Q9HC97 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.38
F10 P00742 1/20 0.37
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TBXAS1 P24557 1/20 0.36
PTGS1 P23219 1/20 0.36
MAOB P27338 1/20 0.36
CASP3 P42574 1/20 0.36
GPER1 Q99527 1/20 0.36
PRNP P04156 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CXCR2 P25025 1/20 0.35
CYP17A1 P05093 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
PMM2 O15305 1/20 0.35
G6PD P11413 1/20 0.35

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
SCHEMBL2893771 0.83 GPR35 (0.58) CMA1BCKDKGPR35PTGDR2F10
SCHEMBL6963675 0.83 CMA1 (0.46) CMA1BCKDKGPR35PTGDR2F10
SCHEMBL4187007 0.81 ICAM1 (0.48) RAB9AKDM4EPRNPRXFP1
SCHEMBL4193685 0.79 BCKDK (0.36) CMA1BCKDKRAB9AKDM4EMTNR1A
SCHEMBL4188868 0.79 PTGDR2 (0.41) BCKDKPTGDR2PTGS1MTNR1AMTNR1B
SCHEMBL31126911 0.79 TRPM8 (0.42) CMA1BCKDKGPR35PTGDR2F10
SCHEMBL4341282 0.78 RXFP1 (0.56) F10RAB9AKDM4EMAOBPRNP
SCHEMBL6964199 0.75 CXCR2 (0.42) CMA1BCKDKGPR35PTGDR2F10
SCHEMBL13709524 0.75 PLAU (0.40) CMA1BCKDKGPR35PTGDR2F10
SCHEMBL4191239 0.73 POLB (0.46) KDM4EMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576122-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2009-08-18 US disclosed
EP-1664011-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2009-02-25 EP disclosed
US-20080287489-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2008-11-20 US disclosed
US-20060276504-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-12-07 US disclosed
EP-1664011-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2006-06-07 EP disclosed
WO-2005020917-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2005-03-10 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 (2 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-20060276504-A1 Ophthalmic compositions for treating ocular hypertension KCNH2, KCNJ11, KCNN1 CMA1 2214/4885BCKDK 730/4885GPR35 295/4885
US-20080287489-A1 Ophthalmic compositions for treating ocular hypertension KCNH2, KCNH3, KCNJ11 CMA1 2295/4885BCKDK 611/4885GPR35 452/4885

“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.