SCHEMBL2145118

SCHEMBL2145118

O=C(O)c1oc(SCc2ccccc2)nc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
GFER P55789 1/20 0.48
DAO P14920 1/20 0.47
ELANE P08246 5/20 0.47
TTR P02766 1/20 0.44
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
EGFR P00533 2/20 0.40
ALDH1A1 P00352 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PPARG P37231 1/20 0.40
NPC1 O15118 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTPRC P08575 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL2145476 0.79 MAPT (0.43) HPGDCYP1A2CYP2C9CYP2C19GFER
SCHEMBL2447220 0.71 TSHR (0.59) GFERRAB9ANPC1MEN1KMT2A
SCHEMBL21772956 0.70 PTPRC (0.52) HPGDGFERDAORAB9ASMN1; SMN2
SCHEMBL28874262 0.67 CYP1A2 (0.50) HPGDCYP1A2CYP2C9CYP2C19GFER
SCHEMBL2145509 0.67 ELANE (0.44) HPGDGFERELANERAB9ASMN1; SMN2
SCHEMBL22497482 0.66 ELANE (0.68) ELANEL3MBTL1MEN1KMT2AMAPT
SCHEMBL2145328 0.66 ALDH1A1 (0.48) HPGDCYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL9710155 0.66 ALDH1A1 (0.56) CYP2C9DAORAB9ASMN1; SMN2L3MBTL1
SCHEMBL22525028 0.65 ELANE (0.76) HPGDCYP1A2CYP2C9CYP2C19GFER
SCHEMBL21772955 0.65 MAPT (0.46) HPGDDAOSMN1; SMN2ALDH1A1MEN1

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-20110224136-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP 2011-09-15 US disclosed
US-20110224136-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP 2011-09-15 US disclosed
US-20110224136-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP 2011-09-15 US disclosed
EP-2346853-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Schering Corporation (US) 2011-07-27 EP disclosed
WO-2010059606-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-05-27 WO disclosed
WO-2010059606-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-05-27 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 (1 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-20110224136-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT HPGD 845/4885CYP1A2 1638/4885CYP2C9 2300/4885

“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.