SCHEMBL6181595

SCHEMBL6181595

O=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)nc2ccc(C(F)(F)F)cc12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
HSD17B10 Q99714 3/20 0.59
HIF1A Q16665 2/20 0.59
PTGES O14684 1/20 0.59
ALOX5 P09917 1/20 0.59
CYP2C9 P11712 1/20 0.59
HPGD P15428 1/20 0.59
CASP7 P55210 1/20 0.59
DHODH Q02127 8/20 0.59
GAA P10253 1/20 0.59
KDM4E B2RXH2 2/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
EPRS1 P07814 2/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PDE10A Q9Y233 1/20 0.54
POLB P06746 1/20 0.52

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
SCHEMBL6185429 0.93 ALDH1A1 (0.70) ALDH1A1HSD17B10HIF1APTGESALOX5
SCHEMBL6184523 0.90 EIF4A1 (0.58) ALDH1A1HSD17B10HIF1APTGESALOX5
SCHEMBL23590028 0.90 DHODH (0.62) ALDH1A1HSD17B10HIF1APTGESALOX5
SCHEMBL23771091 0.89 HSD17B10 (0.54) ALDH1A1HSD17B10HIF1APTGESALOX5
SCHEMBL23590078 0.89 KDM4E (0.65) ALDH1A1HSD17B10HIF1APTGESALOX5
SCHEMBL23590231 0.89 HSD17B10 (0.54) ALDH1A1HSD17B10HIF1APTGESALOX5
SCHEMBL29617663 0.88 DHODH (0.67) ALDH1A1HSD17B10HIF1APTGESALOX5
SCHEMBL23590326 0.88 DHODH (0.67) ALDH1A1HSD17B10HIF1APTGESALOX5
SCHEMBL23590241 0.88 HSD17B10 (0.53) ALDH1A1HSD17B10HIF1APTGESALOX5
SCHEMBL116029 0.87 DHODH (0.74) DHODHKDM4ELMNASMN1; SMN2PDE10A

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-6979741-B2 Acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2005-12-27 US disclosed
EP-1478437-B1 ACC INHIBITORS PFIZER PROD INC (US) 2005-08-31 EP disclosed
CN-1642599-A ACC inhibitors PFIZER PROD INC (US) 2005-07-20 CN disclosed
EP-1478437-A1 ACC INHIBITORS Pfizer Products Inc. (US) 2004-11-24 EP disclosed
US-20030187254-A1 Acetyl-CoA carboxylase inhibitors PFIZER INC. 2003-10-02 US disclosed
WO-2003072197-A1 ACC INHIBITORS PFIZER PRODUCTS INC. (US) 2003-09-04 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-20030187254-A1 Acetyl-CoA carboxylase inhibitors ACACA, ACACB, ACAT1 ALDH1A1 654/4885HSD17B10 87/4885HIF1A 1540/4885

“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.