SCHEMBL961252

SCHEMBL961252

N#Cc1ccc2c(C(=O)O)nn(Cc3ccc(OC(F)F)cc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 4/20 0.47
CPT1B Q92523 4/20 0.47
MCL1 Q07820 1/20 0.43
CYP2C9 P11712 2/20 0.40
PPARG P37231 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP2 O95551 1/20 0.39
PTGER4 P35408 4/20 0.38
GPR6 P46095 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
PMP22 Q01453 1/20 0.37
HIF1A Q16665 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CCR9 P51686 1/20 0.37
P2RY14 Q15391 1/20 0.37

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
SCHEMBL961017 0.88 ELANE (0.46) CPT1ACPT1BMCL1POLBSMN1; SMN2
SCHEMBL1967017 0.84 CPT1A (0.48) CPT1ACPT1BMCL1CYP2C9PPARG
SCHEMBL29459618 0.82 PTGER4 (0.54) CPT1ACPT1BMCL1CYP2C9PPARG
SCHEMBL3783075 0.82 PTGER4 (0.54) CPT1ACPT1BMCL1CYP2C9PPARG
SCHEMBL3784936 0.79 CPT1A (0.68) CPT1ACPT1BMCL1CYP2C9PPARG
SCHEMBL958457 0.79 CPT1A (0.47) CPT1ACPT1BMCL1CYP2C9PPARG
SCHEMBL957884 0.78 CPT1A (0.55) CPT1ACPT1BPOLBPTGER4CPT2
SCHEMBL958455 0.78 CPT1A (0.44) CPT1ACPT1BMCL1CYP2C9PPARG
SCHEMBL1967040 0.77 MCL1 (0.53) CPT1ACPT1BMCL1CYP2C9PPARG
SCHEMBL3778189 0.76 CPT1A (0.54) CPT1ACPT1BMCL1POLBPTGER4

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-8071628-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-12-06 US disclosed
US-20110015234-A1 INDAZOLE DERIVATIVES ACKERMANN JEAN 2011-01-20 US disclosed
US-7858645-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
EP-2079703-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-22 EP disclosed
WO-2008052898-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 WO disclosed
US-20080103182-A1 INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-05-01 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-20080103182-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 CPT1A 1/4885CPT1B 2/4885MCL1 1482/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 CPT1A 1/4885CPT1B 2/4885MCL1 1482/4885

“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.