SCHEMBL8925765

SCHEMBL8925765

O=C(Cl)c1ccc(C(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MRGPRX4 Q96LA9 1/20 0.36
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
CES2 O00748 4/20 0.34
CES1 P23141 4/20 0.34
TRPV4 Q9HBA0 1/20 0.34
LMNA P02545 1/20 0.33
ALPG P10696 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DAO P14920 1/20 0.32
ALOX15 P16050 1/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC3 O15379 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
NOTUM Q6P988 1/20 0.32
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
ANPEP P15144 1/20 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
SCHEMBL15559817 0.82 ALDH1A1 (0.41) ALDH1A1PGK1PGK2CES2CES1
SCHEMBL28608879 0.80 ALDH1A1 (0.48) ALDH1A1LMNAALPGSMN1; SMN2TP53
SCHEMBL20587670 0.79 ALDH1A1 (0.59) ALDH1A1CES2CES1LMNAALOX15
SCHEMBL68148 0.79 ALDH1A1 (0.59) ALDH1A1CES2CES1LMNAALOX15
SCHEMBL202932 0.79 ALDH1A1 (0.38) ALDH1A1PGK1PGK2CES2CES1
SCHEMBL18393941 0.79 ALDH1A1 (0.38) ALDH1A1PGK1PGK2CES2CES1
SCHEMBL8163188 0.78 MRGPRX4 (0.37) ALDH1A1MRGPRX4PGK1PGK2CES2
SCHEMBL6441255 0.78 ALDH1A1 (0.45) ALDH1A1CES2CES1LMNAALOX15
SCHEMBL9681747 0.78 ALDH1A1 (0.45) ALDH1A1PGK1PGK2CES2CES1
SCHEMBL315097 0.78 TSHR (0.60) ALDH1A1MRGPRX4CES2CES1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342089-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2017-11-30 US disclosed
US-9777018-B2 Compounds as modulators of GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2017-10-03 US disclosed
EP-2718279-B1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2016-08-10 EP disclosed
US-20150361092-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2015-12-17 US disclosed
US-9181214-B2 Bicyclic compounds as modulators of GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2015-11-10 US disclosed
CN-103958495-A Novel compounds as modulators of GPR-119 RHIZEN PHARMACEUTICALS SA 2014-07-30 CN disclosed
EP-2718279-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 Rhizen Pharmaceuticals S.A. (CH) 2014-04-16 EP disclosed
US-20130045986-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2013-02-21 US disclosed
WO-2012170867-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2012-12-13 WO disclosed
US-5648567-A INTERMEDIATES FOR BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-07-15 US disclosed
US-5493048-A REACTING METALLIZED FLUORO-TRIFLUOROMETHYLBENZENE DERIVATIVE WITH CARBON DIOXIDE AND PRODUCT IS THEN HYDROLYSED WITH AN ACID TO FORM ACID, SIMILARLY HALOGENATION GIVE ACID HALIDE AND WITH ALCOHOL GIVES ESTER BAYER AKTIENGESELLSCHAFT (DE) 1996-02-20 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-20150361092-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 GPR119, GPR39, GPBAR1 ALDH1A1 2322/4885MRGPRX4 69/4885PGK1 2096/4885
US-20130045986-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 GPR119, GPR39, GPBAR1 ALDH1A1 2322/4885MRGPRX4 69/4885PGK1 2096/4885
US-20170342089-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 GPR119, GPR39, GPBAR1 ALDH1A1 2322/4885MRGPRX4 69/4885PGK1 2096/4885

“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.