SCHEMBL161228

SCHEMBL161228

Nc1c(OC(F)(F)F)cccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.50
CASP7 P55210 1/20 0.50
CASP6 P55212 1/20 0.50
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
KCNK3 O14649 4/20 0.43
KCNK9 Q9NPC2 4/20 0.43
MMP2 P08253 1/20 0.42
KDM4E B2RXH2 5/20 0.40
HTT P42858 1/20 0.40
MAPK1 P28482 1/20 0.40
CDK2 P24941 1/20 0.40
DHODH Q02127 1/20 0.40
HPGD P15428 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 3/20 0.40
ESR1 P03372 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40

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
Hydrochloric Acid SCHEMBL3071146 0.98 G6PD (0.49) G6PDCASP7CASP6RXRARXRB
Hydrochloric Acid SCHEMBL3071144 0.97 G6PD (0.47) G6PDCASP7CASP6RXRARXRB
SCHEMBL4870195 0.86 CDK2 (0.46) G6PDCASP7CASP6RXRARXRB
SCHEMBL3534227 0.82 KCNK3 (0.49) KCNK3KCNK9KDM4EMAPK1ALDH1A1
SCHEMBL29374906 0.82 KDM4E (0.53) RXRARXRBRXRGKCNK3KCNK9
SCHEMBL219675 0.82 KDM4E (0.53) RXRARXRBRXRGKCNK3KCNK9
SCHEMBL27776209 0.81 F2R (0.43) RXRARXRBRXRGKCNK3KCNK9
SCHEMBL2061615 0.81 KCNK3 (0.48) KCNK3KCNK9ALDH1A1SCN10ARXFP1
SCHEMBL16093747 0.81 RXRA (0.44) RXRARXRBRXRGKCNK3KCNK9
SCHEMBL1970631 0.81 ALB (0.52) RXRARXRBRXRGKCNK3KCNK9

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12404270-B2 Quinazoline derivatives as LPA receptor 2 inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2025-09-02 US disclosed
EP-4072670-B1 QUINAZOLINE DERIVATIVES AS LPA RECEPTOR 2 INHIBITORS CHIESI FARM SPA (IT) 2023-11-22 EP disclosed
US-11731953-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2023-08-22 US disclosed
US-11731953-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2023-08-22 US disclosed
US-11731953-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2023-08-22 US disclosed
EP-4168411-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV Pharmaceuticals, Inc. (US) 2023-04-26 EP disclosed
US-20230063121-A1 QUINAZOLINE DERIVATIVES AS LPA RECEPTOR 2 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-03-02 US disclosed
US-20230056253-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2023-02-23 US disclosed
US-20230056253-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2023-02-23 US disclosed
EP-4072670-A1 QUINAZOLINE DERIVATIVES AS LPA RECEPTOR 2 INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2022-10-19 EP disclosed
US-20080058319-A1 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2008-03-06 US disclosed
US-7223768-B2 Fused ring heterocycles as potassium channel modulators ICAGEN, INC. (US) 2007-05-29 US disclosed
EP-1718639-A2 CASPASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2006-11-08 EP disclosed
US-20050282882-A1 Diamines as modulators of chemokine receptor activity CARTER PERCY 2005-12-22 US disclosed
US-6974836-B2 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-12-13 US disclosed
US-20050233979-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2005-10-20 US disclosed
WO-2005085236-A2 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-09-15 WO disclosed
EP-1351924-A2 DIAMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Pharma Company (US) 2003-10-15 EP disclosed
US-20030060459-A1 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-03-27 US disclosed
WO-2002050019-A2 DIAMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA CO. (US) 2002-06-27 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 (8 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-20080058319-A1 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNK17, KCNJ2, KCNJ1 G6PD 2067/4885CASP7 828/4885CASP6 2853/4885
US-12404270-B2 Quinazoline derivatives as LPA receptor 2 inhibitors LPAR2, LPAR1, LPAR5 G6PD 4151/4885CASP7 3736/4885CASP6 4643/4885
US-20050282882-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 G6PD 2686/4885CASP7 3570/4885CASP6 4010/4885
US-20230056253-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, HRAS G6PD 826/4885CASP7 1338/4885CASP6 1463/4885
US-11731953-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, HRAS G6PD 826/4885CASP7 1338/4885CASP6 1463/4885
US-20030060459-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 G6PD 2754/4885CASP7 3719/4885CASP6 4074/4885
US-20230063121-A1 QUINAZOLINE DERIVATIVES AS LPA RECEPTOR 2 INHIBITORS LPAR2, LPAR1, LPAR5 G6PD 4151/4885CASP7 3736/4885CASP6 4643/4885
US-20050233979-A1 Caspase inhibitors and uses thereof CASP1, CASP5, CASP3 G6PD 605/4885CASP7 7/4885CASP6 9/4885

“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.