SCHEMBL8769066

SCHEMBL8769066

CC#Cc1cccc(CO)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.51
ENPP2 Q13822 1/20 0.42
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
TSHR P16473 1/20 0.39
PRKCI P41743 1/20 0.39
CYP1A1 P04798 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP1B1 Q16678 2/20 0.38
PTGES O14684 5/20 0.36
GRM5 P41594 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
CFTR P13569 1/20 0.35
HAO1 Q9UJM8 1/20 0.35

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
SCHEMBL30887043 0.82 TP53 (0.41) FFAR1CYP1A1CYP1A2CYP1B1PTGES
SCHEMBL9454240 0.82 FFAR1 (0.66) FFAR1ENPP2TSHRPTGESCFTR
SCHEMBL17472694 0.80 CYP1A1 (0.47) FFAR1PRKCICYP1A1CYP1A2CYP1B1
SCHEMBL26703935 0.80 TRPA1 (0.39) FFAR1TSHRCYP1A1CYP1A2CYP1B1
SCHEMBL8226084 0.80 CYP1A1 (0.38) FFAR1CYP1A1CYP1A2CYP1B1PTGES
SCHEMBL1244860 0.80 FFAR1 (0.51) FFAR1ENPP2PRSS1PRSS2PRSS3
SCHEMBL16491404 0.80 FFAR1 (0.51) FFAR1ENPP2PRSS1PRSS2PRSS3
SCHEMBL3351697 0.79 FFAR1 (0.48) FFAR1ENPP2PRSS1PRSS2PRSS3
SCHEMBL24567434 0.78 FFAR1 (0.47) FFAR1ENPP2PRSS1PRSS2PRSS3
SCHEMBL2876029 0.78 CYP1A1 (0.48) CYP1A1CYP1A2CYP1B1GRM5HAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339947-A1 USE OF CASEINOLYTIC PROTEASE P FUNCTION AS A BIOMARKER OF DRUG RESPONSE TO IMIPRIDONE-LIKE AGENTS Madera Therapeutics, LLC 2023-10-26 US disclosed
US-20230339947-A1 USE OF CASEINOLYTIC PROTEASE P FUNCTION AS A BIOMARKER OF DRUG RESPONSE TO IMIPRIDONE-LIKE AGENTS Madera Therapeutics, LLC 2023-10-26 US disclosed
EP-3016934-B1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARM INC (US) 2018-01-10 EP disclosed
US-9695154-B2 Heteroaryl inhibitors of sumo activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-9695154-B2 Heteroaryl inhibitors of sumo activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-9695154-B2 Heteroaryl inhibitors of sumo activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-12-08 US disclosed
US-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-12-08 US disclosed
US-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-12-08 US disclosed
EP-3016934-A2 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2016-05-11 EP disclosed
WO-2015002994-A2 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-01-08 WO disclosed
WO-2015002994-A2 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-01-08 WO disclosed
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 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-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES NAT1, NQO2, NOX1 FFAR1 2371/4885ENPP2 4236/4885PRSS1 2969/4885
US-20230339947-A1 USE OF CASEINOLYTIC PROTEASE P FUNCTION AS A BIOMARKER OF DRUG RESPONSE TO IMIPRIDONE-LIKE AGENTS CLPP, PRCP, PREP FFAR1 4256/4885ENPP2 1535/4885PRSS1 28/4885
US-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO2, SUMO1 FFAR1 2946/4885ENPP2 1696/4885PRSS1 585/4885

“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.