SCHEMBL15564410

SCHEMBL15564410

COC(=O)c1cccc(C(O)C2CCSCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.42
CASR P41180 1/20 0.41
MAPT P10636 3/20 0.40
NPC1 O15118 3/20 0.40
KMT2A Q03164 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
EPHX2 P34913 1/20 0.39
TSHR P16473 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
SCHEMBL15563963 0.83 ANPEP (0.44) CASRKMT2AMEN1CYP1A2CYP2C9
SCHEMBL19064422 0.81 ALDH1A1 (0.43) RAB9ACASRKMT2AALDH1A1KDM4E
SCHEMBL15630909 0.81 SLC7A5 (0.48) RAB9ACASRMAPTNPC1KMT2A
SCHEMBL17594838 0.80 ALDH1A1 (0.42) RAB9ACASRNPC1KMT2ALOXL2
SCHEMBL755881 0.79 RAB9A (0.47) RAB9ACASRMAPTNPC1KMT2A
SCHEMBL3936507 0.78 ATM (0.50) RAB9AKMT2AALDH1A1CYP4F2CYP4A11
SCHEMBL29826140 0.77 EED (0.55) RAB9AMAPTNPC1KMT2AMEN1
SCHEMBL17594628 0.77 EED (0.55) RAB9AMAPTNPC1KMT2AMEN1
SCHEMBL3939878 0.75 ANPEP (0.50) CASRMAPTKMT2AMEN1CYP1A2
SCHEMBL20863301 0.75 TSHR (0.50) RAB9ACASRMAPTNPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326142-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2016-11-10 US disclosed
EP-2882718-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2015-06-17 EP disclosed
US-20150158851-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2015-06-11 US disclosed
WO-2014023258-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2014-02-13 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-20150158851-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE CYP3A5, GLP1R, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 RAB9A 576/4885CASR 2067/4885MAPT 2853/4885
US-20160326142-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE CYP3A5, GLP1R, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 RAB9A 576/4885CASR 2067/4885MAPT 2853/4885

“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.