SCHEMBL3515860

SCHEMBL3515860

CCC(CF)(CF)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 1/20 0.40
ADRA1A P35348 1/20 0.40
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 2/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
FFAR3 O14843 2/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.34
FFAR1 O14842 1/20 0.34
CPT2 P23786 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ACLY P53396 2/20 0.33
MVD P53602 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL4325199 0.84 ALDH1A1 (0.41) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL3138394 0.84 HMGCR (0.48) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL28151 0.84 HMGCR (0.48) HMGCRCHRM1TBXA2RADRA1ACYP2C19
Oxalic Acid SCHEMBL27725522 0.79 ALDH1A1 (0.38) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL25390350 0.77 TBXA2R (0.42) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL27301329 0.77 TBXA2R (0.42) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL11219623 0.75 HMGCR (0.40) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL25310557 0.75 KDM4E (0.50) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL11210572 0.75 HMGCR (0.40) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL27818501 0.75 HMGCR (0.40) HMGCRCHRM1TBXA2RADRA1ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183275-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-05-22 US disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
EP-2083623-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS Merck & Co., Inc. (US) 2009-08-05 EP disclosed
WO-2008051405-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS MERCK & CO., INC. (US) 2008-05-02 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-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators BRS3, GPR119, GIPR HMGCR 4611/4885CHRM1 558/4885TBXA2R 461/4885

“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.