SCHEMBL1960027

SCHEMBL1960027

CC(C)(CC(=O)O)C(=O)Cl

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.50
CHRM1 P11229 1/20 0.50
TBXA2R P21731 1/20 0.50
ADRA1A P35348 1/20 0.50
KDM4E B2RXH2 1/20 0.48
TSHR P16473 3/20 0.48
CYP2C19 P33261 2/20 0.48
HIF1A Q16665 2/20 0.48
CYP2D6 P10635 1/20 0.48
FFAR1 O14842 1/20 0.42
CPT2 P23786 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.38
FFAR3 O14843 1/20 0.33
MIF P14174 1/20 0.32
ACLY P53396 2/20 0.31

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
SCHEMBL1002901 0.80 TSHR (0.41) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL10955758 0.79 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL13880069 0.78 ALDH1A1 (0.33) HMGCRCHRM1TBXA2RADRA1ATSHR
Hydrochloric Acid SCHEMBL4137653 0.77 TSHR (0.60) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL83915 0.77 TSHR (0.60) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL377850 0.76 KMT2A (0.31) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL2178900 0.74 HMGCR (0.52) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL8844260 0.74 TSHR (0.57) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL28478983 0.74 TSHR (0.57) HMGCRCHRM1TBXA2RADRA1AKDM4E
Ammonia Solution, Strong SCHEMBL10868076 0.74 TSHR (0.57) HMGCRCHRM1TBXA2RADRA1AKDM4E

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
EP-2299824-B1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME (US) 2013-06-19 EP disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 US disclosed
EP-1071654-B1 A PROCESS FOR PREPARING CHIRAL (S)-2,3-DISUBSTITUTED-1-PROPYLAMINE DERIVATIVES SAMSUNG FINE CHEMICALS CO LTD (KR) 2003-10-22 EP disclosed
US-6417403-B1 AMINATION OF 3,4-DISUBSTITUTED-1-BUTANECARBONYL DERIVATIVE THROUGH CURTIUS OR HOFMAN REARRANGEMENT; SALT FORMATION, CARBAMYLATION SAMSUNG FINE CHEMICALS CO., LTD. (KR) 2002-07-09 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 (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-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, HRH2 HMGCR 1643/4885CHRM1 1355/4885TBXA2R 597/4885

“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.