SCHEMBL2698321

SCHEMBL2698321

Cc1nc(C2(c3ccc(C(=O)O)cc3)CC2)sc1C(=O)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.41
NPC1 O15118 4/20 0.40
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
TP53 P04637 2/20 0.39
HTR2C P28335 1/20 0.39
RAB9A P51151 6/20 0.38
POLB P06746 2/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD11B1 P28845 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
SCHEMBL2700139 0.87 ALDH1A1 (0.44) NPC1ALDH1A1SMN1; SMN2TP53HTR2C
SCHEMBL1919491 0.87 ALDH1A1 (0.43) NPC1ALDH1A1SMN1; SMN2TP53HTR2C
SCHEMBL9910036 0.86 RXRA (0.43) RXRANPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL197816 0.79 POLB (0.39) RXRANPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL9910037 0.73 RAB9A (0.41) NPC1ALDH1A1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL1920137 0.73 NPC1 (0.47) NPC1ALDH1A1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL16920384 0.70 RXRA (0.50) RXRAHSD11B1
SCHEMBL197997 0.70 POLB (0.36) RXRANPC1ALDH1A1RAB9APOLB
SCHEMBL2700210 0.68 RAB9A (0.54) RXRANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL17503456 0.68 RXRA (0.64) RXRAALDH1A1SMN1; SMN2TP53

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 9 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
US-8088771-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-8088771-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
WO-2010014611-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-02-04 WO disclosed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 US disclosed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 US 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-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 RXRA 1542/4885NPC1 277/4885ALDH1A1 957/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 RXRA 1542/4885NPC1 277/4885ALDH1A1 957/4885

“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.