SCHEMBL1942608

SCHEMBL1942608

COc1ccc(C(=O)C2CCCCCC2)c(F)c1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 10/20 0.70
KDM2B Q8NHM5 3/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PARP10 Q53GL7 1/20 0.48
GPR6 P46095 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
SCHEMBL30514010 1.00 CPS1 (0.70) CPS1KDM2BMEN1KMT2APARP10
SCHEMBL30513999 0.92 CPS1 (0.75) CPS1GPR6
SCHEMBL30323172 0.87 CPS1 (0.68) CPS1MEN1KMT2A
SCHEMBL20524600 0.87 CPS1 (0.68) CPS1MEN1KMT2A
Hydrochloric Acid SCHEMBL30323144 0.86 CPS1 (0.67) CPS1MEN1KMT2A
SCHEMBL4113759 0.84 MAPT (0.61) CPS1KDM2B
SCHEMBL10963872 0.82 CPS1 (0.81) CPS1GPR6
SCHEMBL5280460 0.82 KDM2B (0.49) CPS1KDM2BMEN1KMT2A
SCHEMBL30514001 0.81 CPS1 (0.72) CPS1KDM2BGPR6
SCHEMBL14477305 0.81 KDM2B (0.50) CPS1KDM2BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237624-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS LABORATOIRE THERAMEX (MC) 2011-09-29 US disclosed
US-7977364-B2 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents LABORATOIRE THERMAMEX (MC) 2011-07-12 US disclosed
EP-1812404-B1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS THERAMEX (MC) 2011-06-15 EP disclosed
US-20100168217-A1 SULFAMATOBENZOTHIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2010-07-01 US disclosed
US-20100168217-A1 SULFAMATOBENZOTHIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2010-07-01 US disclosed
WO-2008067892-A1 SULPHAMATE BENZOTHIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2008-06-12 WO disclosed
EP-1812404-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS LABORATOIRE THERAMEX (MC) 2007-08-01 EP disclosed
WO-2006040351-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS LABORATOIRE THERAMEX (MC) 2006-04-20 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-20100168217-A1 SULFAMATOBENZOTHIOPHENE DERIVATIVES SULT1A1, SULT1E1, SULT2A1 CPS1 1923/4885KDM2B 1486/4885MEN1 1845/4885
US-20110237624-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS ESR1, ESR2, GPER1 CPS1 4058/4885KDM2B 1092/4885MEN1 2374/4885

“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.