SCHEMBL10175758

SCHEMBL10175758

CC(C)c1nc(C(=O)O)c(C(C)C)s1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
COPS5 Q92905 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.33
DAO P14920 1/20 0.32
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL10176188 0.84 CYP1A2 (0.33) L3MBTL1NPC1CYP1A2CYP2C9CYP2C19
SCHEMBL2140521 0.80 PTGER1 (0.35) COPS5L3MBTL1DAONPC1CYP1A2
SCHEMBL1431563 0.80 COPS5 (0.39) COPS5DAONPC1RAB9ASMN1; SMN2
SCHEMBL2213156 0.78 ALDH1A1 (0.44) COPS5DAOALDH1A1
SCHEMBL14820138 0.76 COPS5 (0.37) COPS5L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL1760032 0.76 COPS5 (0.37) COPS5ALDH1A1
SCHEMBL1841799 0.73 L3MBTL1 (0.46) L3MBTL1NPC1CYP1A2CYP2C9CYP2C19
SCHEMBL20376365 0.72 MAPK14 (0.41) CYP1A2CYP2C9ALDH1A1
SCHEMBL2880579 0.72 COPS5 (0.35) COPS5
SCHEMBL14805669 0.72 COPS5 (0.37) COPS5

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-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 US disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 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-20100190782-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX COPS5 2389/4885L3MBTL1 1483/4885DAO 4125/4885
US-20120184541-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX COPS5 2389/4885L3MBTL1 1483/4885DAO 4125/4885

“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.