SCHEMBL2642632

SCHEMBL2642632

CC(C)n1cc(C(=O)O)c2ccc(Cl)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MYC P01106 2/20 0.41
NR4A1 P22736 1/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
PLA2G4A P47712 2/20 0.40
PTGER1 P34995 1/20 0.40

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
SCHEMBL27727434 0.86 PTGDR2 (0.40) PTGDR2ALDH1A1TP53TSHRCASP1
SCHEMBL1622103 0.83 MYC (0.42) ALDH1A1CA1CA2MYCNR4A1
SCHEMBL2706652 0.83 CA12 (0.41) ALDH1A1TSHRCA1CA2MYC
SCHEMBL2642568 0.83 CSNK2A1 (0.42) ALDH1A1CA1CA2KMT2ARAB9A
SCHEMBL2643468 0.83 HTT (0.46) PTGDR2PLA2G4APTGER1KDM4EFFAR4
SCHEMBL2643375 0.82 PTGDR2 (0.40) PTGDR2ALDH1A1CA1CA2KDM4E
SCHEMBL2643062 0.81 MCL1 (0.47) TSHRCA1CA2KMT2ARAB9A
SCHEMBL10258241 0.80 KMT2A (0.52) ALDH1A1TP53TSHRCASP1SMN1; SMN2
SCHEMBL2643501 0.79 KDM4E (0.48) ALDH1A1TSHRSMN1; SMN2CA1CA2
SCHEMBL12180507 0.79 ALDH1A1 (0.39) PTGDR2ALDH1A1TP53TSHRCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6881844-B2 Indole-3-carboxamides as glucokinase activators HOFFMAN-LA ROCHE INC. (US) 2005-04-19 US claimed
US-20040067939-A1 Indole-3-carboxamides as glucokinase activators CORBETT WENDY LEA (US) 2004-04-08 US claimed
US-20100256140-A1 INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOL DERIVATIVES BISSANTZ CATERINA 2010-10-07 US disclosed
US-7803815-B2 Indol-3-yl-corbonyl-piperidin-benzoimidazol derivatives HOFFMANN-LA ROCHE INC. (US) 2010-09-28 US disclosed
EP-1912976-B1 INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOLE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-11-12 EP disclosed
CN-101268067-A Indol-3-yl-carbonyl-piperidine-benzimidazole derivatives as V1A receptor antagonists HOFFMANN LA ROCHE (CH) 2008-09-17 CN disclosed
CN-100348596-C Indole-3-carboxamides as glucokinase (GK) activators HOFFMANN LA ROCHE (CH) 2007-11-14 CN disclosed
EP-1549638-B1 INDOLE-3-CARBOXAMIDES AS GLUCOKINASE (GK) ACTIVATORS HOFFMANN LA ROCHE (CH) 2007-10-03 EP disclosed
US-20070021463-A1 Indol-3-yl-carbonyl-piperidin-benzoimidazol derivatives HOFFMANN-LA ROCHE INC. 2007-01-25 US disclosed
CN-1688574-A Indole-3-carboxamides as glucokinase (GK) activators HOFFMANN LA ROCHE (CH) 2005-10-26 CN disclosed
EP-1549638-A1 INDOLE-3-CARBOXAMIDES AS GLUCOKINASE (GK) ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-07-06 EP disclosed
US-6881844-B2 Indole-3-carboxamides as glucokinase activators HOFFMAN-LA ROCHE INC. (US) 2005-04-19 US disclosed
WO-2004031179-A1 INDOLE-3-CARBOXAMIDES AS GLUCOKINASE (GK) ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-15 WO disclosed
US-20040067939-A1 Indole-3-carboxamides as glucokinase activators CORBETT WENDY LEA (US) 2004-04-08 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 (3 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-20100256140-A1 INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOL DERIVATIVES AVPR1A, AVPR2, AVPR1B PTGDR2 431/4885ALDH1A1 850/4885TP53 4057/4885
US-20040067939-A1 Indole-3-carboxamides as glucokinase activators GCKR, GPR119, GCK PTGDR2 2084/4885ALDH1A1 1377/4885TP53 4582/4885
US-20070021463-A1 Indol-3-yl-carbonyl-piperidin-benzoimidazol derivatives AVPR1A, AVPR2, AVPR1B PTGDR2 431/4885ALDH1A1 850/4885TP53 4057/4885

“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.