SCHEMBL9910036

SCHEMBL9910036

CC(=O)c1sc(C2(c3ccc(C(=O)O)cc3)CC2)nc1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.43
RAB9A P51151 8/20 0.41
NPC1 O15118 6/20 0.41
KMT2A Q03164 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 3/20 0.41
RXFP1 Q9HBX9 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 4/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
AMY1A P0DUB6 1/20 0.38
CYP26A1 O43174 1/20 0.37
CYP26B1 Q9NR63 1/20 0.37
MAPT P10636 1/20 0.37
HSD11B1 P28845 1/20 0.37
S1PR1 P21453 1/20 0.36

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
SCHEMBL197816 0.92 POLB (0.39) RXRARAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL2698321 0.86 RXRA (0.41) RXRARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL9910037 0.86 RAB9A (0.41) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1920137 0.86 NPC1 (0.47) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL197046 0.78 HDAC1 (0.46) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2700978 0.75 RXRA (0.43) RXRARAB9ASMN1; SMN2ALDH1A1CYP26A1
SCHEMBL1919491 0.73 ALDH1A1 (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL2700139 0.73 ALDH1A1 (0.44) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL16920384 0.73 RXRA (0.50) RXRACYP26A1CYP26B1HSD11B1
SCHEMBL197997 0.72 POLB (0.36) RXRARAB9ANPC1ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US disclosed
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US disclosed
US-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-02-23 US disclosed
US-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-02-23 US disclosed
WO-2010014611-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-02-04 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-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 RXRA 1542/4885RAB9A 2514/4885NPC1 277/4885

“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.