SCHEMBL5429632

SCHEMBL5429632

NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 4/20 0.60
KIF11 P52732 6/20 0.59
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
MAOB P27338 1/20 0.58
DHODH Q02127 1/20 0.58
MAP2K4 P45985 1/20 0.55
SRD5A2 P31213 1/20 0.52
RXRA P19793 1/20 0.52
RXRB P28702 1/20 0.52
RXRG P48443 1/20 0.52
OPRD1 P41143 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
KCNH2 Q12809 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
PTPN1 P18031 1/20 0.50

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 SCHEMBL30116623 0.98 P2RY14 (0.58) P2RY14KIF11CES2CES1MAOB
SCHEMBL171651 0.94 CES2 (0.67) P2RY14KIF11CES2CES1MAOB
Bromide SCHEMBL28812419 0.91 CES2 (0.64) P2RY14KIF11CES2CES1MAOB
Water SCHEMBL27804326 0.91 CES2 (0.64) P2RY14KIF11CES2CES1MAOB
Hydrochloric Acid SCHEMBL8491584 0.91 CES2 (0.64) P2RY14KIF11CES2CES1MAOB
Hydrochloric Acid SCHEMBL4376063 0.91 CES2 (0.64) P2RY14KIF11CES2CES1MAOB
Benzene SCHEMBL28007808 0.89 CES2 (0.61) P2RY14CES2CES1MAOBDHODH
SCHEMBL5206010 0.86 NQO2 (0.51) P2RY14KIF11CES2CES1MAOB
SCHEMBL13410662 0.83 SRD5A2 (0.73) KIF11CES2CES1SRD5A2RXRA
SCHEMBL28000964 0.83 SRD5A2 (0.73) KIF11CES2CES1SRD5A2RXRA

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-20070265345-A1 Novel Biphenyl Compounds And Their Use SMITHKLINE BEECHAM CORPORATION (US) 2007-11-15 US claimed
EP-1778214-A2 NOVEL BIPHENYL COMPOUNDS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2007-05-02 EP claimed
WO-2006020358-A2 NOVEL BIPHENYL COMPOUNDS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2006-02-23 WO claimed
CN-115872947-B Benzisothiazole benzamide compound or pharmaceutically acceptable salt thereof, preparation method and application 中国药科大学 2024-04-19 CN disclosed
WO-2024067560-A1 SULFONAMIDE COMPOUND AND MEDICAL USE THEREOF 中国药科大学 2024-04-04 WO disclosed
US-20230302162-A1 RADIOLABELED DARAPLADIB AND ANALOGS THEREOF AND THEIR USE AS IMAGING COMPOUNDS INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2023-09-28 US disclosed
CN-112409223-B Amide compound and medical application thereof as STING inhibitor 中国药科大学 2023-01-31 CN disclosed
US-20070265345-A1 Novel Biphenyl Compounds And Their Use SMITHKLINE BEECHAM CORPORATION (US) 2007-11-15 US disclosed
EP-1778214-A2 NOVEL BIPHENYL COMPOUNDS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2007-05-02 EP disclosed
WO-2006020358-A2 NOVEL BIPHENYL COMPOUNDS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2006-02-23 WO disclosed
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 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 (2 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-20070265345-A1 Novel Biphenyl Compounds And Their Use KIF5B, KIF5C, KIF5A P2RY14 4452/4885KIF11 8/4885CES2 3247/4885
US-20230302162-A1 RADIOLABELED DARAPLADIB AND ANALOGS THEREOF AND THEIR USE AS IMAGING COMPOUNDS PLA2G4B, PLA2G1B, PLA2G12B P2RY14 468/4885KIF11 4787/4885CES2 2044/4885

“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.