SCHEMBL9524633

SCHEMBL9524633

CC(=O)c1cccc(C(F)(F)F)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.56
CTSK P43235 2/20 0.54
P2RX7 Q99572 14/20 0.51
TAS2R14 Q9NYV8 1/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL30562236 1.00 CTSS (0.56) CTSSCTSKP2RX7TAS2R14LMNA
SCHEMBL28311763 0.85 CTSS (0.55) CTSSCTSKP2RX7LMNAGAA
SCHEMBL18511684 0.83 CA2 (0.43) CTSSCTSKP2RX7
SCHEMBL422330 0.83 TSHR (0.57) CTSSCTSKP2RX7TAS2R14LMNA
SCHEMBL16127683 0.83 CTSS (0.57) CTSSCTSKP2RX7LMNAGAA
SCHEMBL108509 0.83 CTSS (0.54) CTSSCTSKP2RX7LMNAGAA
SCHEMBL28659549 0.83 CTSS (0.42) CTSSCTSKP2RX7TAS2R14SLC6A2
SCHEMBL24446018 0.81 CTSS (0.49) CTSSCTSKP2RX7SLC6A2SLC6A4
SCHEMBL3185133 0.81 CTSS (0.52) CTSSCTSKP2RX7LMNAGAA
Hydrochloric Acid SCHEMBL2990630 0.81 TSHR (0.55) CTSSCTSKP2RX7TAS2R14LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5142092-A Chemical intermediate for making fungicides BAYER AKTIENGESELLSCHAFT (DE) 1992-08-25 US claimed
EP-0365914-B1 FLUORINE-CONTAINING ACETOPHENONES OPTIONALLY HALOGENATED IN THE CH3-GROUP, AND THEIR PREPARATION FROM FLUORINATED BENZONITRILES BAYER AG (DE) 1992-07-22 EP claimed
EP-0365914-A2 Fluorine-containing acetophenones optionally halogenated in the CH3-group, and their preparation from fluorinated benzonitriles BAYER AG (DE) 1990-05-02 EP claimed
US-20230348424-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE SCHRÖDINGER, INC. 2023-11-02 US disclosed
EP-0365913-B1 Substituted 2-aminothiazoles BAYER AG (DE) 1993-11-18 EP disclosed
US-5142092-A Chemical intermediate for making fungicides BAYER AKTIENGESELLSCHAFT (DE) 1992-08-25 US disclosed
EP-0365914-B1 FLUORINE-CONTAINING ACETOPHENONES OPTIONALLY HALOGENATED IN THE CH3-GROUP, AND THEIR PREPARATION FROM FLUORINATED BENZONITRILES BAYER AG (DE) 1992-07-22 EP disclosed
US-5104879-A ANTIMYCOTICALLY ACTIVE SUBSTITUTED 2-AMINOTHIAZOLES BAYER AKTIENGESELLSCHAFT (DE) 1992-04-14 US disclosed
EP-0365914-A2 Fluorine-containing acetophenones optionally halogenated in the CH3-group, and their preparation from fluorinated benzonitriles BAYER AG (DE) 1990-05-02 EP disclosed
EP-0365913-A2 Substituted 2-aminothiazoles BAYER AG (DE) 1990-05-02 EP 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-20230348424-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE APC, RCC2, CDC37 CTSS 3157/4885CTSK 3028/4885P2RX7 3896/4885

“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.