SCHEMBL462050

SCHEMBL462050

FC(F)(F)CC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
SIGMAR1 Q99720 3/20 0.37
CHRM5 P08912 2/20 0.35
ADRA2C P18825 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
HPGD P15428 1/20 0.31
MLYCD O95822 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
METAP1 P53582 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL22672397 1.00 CYP1A2 (0.40) CYP1A2SIGMAR1CHRM5ADRA2CCHRM2
SCHEMBL1928749 0.97 CYP1A2 (0.36) CYP1A2SIGMAR1CHRM5ADRA2CCHRM2
SCHEMBL1445018 0.91
SCHEMBL10468230 0.85 ALDH1A1 (0.38) CYP1A2
SCHEMBL17813 0.84
SCHEMBL17388528 0.83
SCHEMBL13464765 0.78 CYP1A2 (0.42) CYP1A2SIGMAR1CHRM5ADRA2CCHRM2
SCHEMBL12295178 0.78 CHRM5 (0.37) CYP1A2SIGMAR1CHRM5ADRA2CCHRM2
SCHEMBL16825252 0.78 CYP1A2 (0.37) CYP1A2SIGMAR1CHRM5ADRA2CCHRM2
SCHEMBL17388557 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190053492-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2019-02-21 US claimed
US-9663502-B2 2-Acylamidomethyl and sulfonylamidomethyl benzoxazine carbamates for inhibition of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2017-05-30 US claimed
US-11999717-B2 Triazole carbamate pyridyl sulfonamides as LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2024-06-04 US disclosed
US-20230212149-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2023-07-06 US disclosed
WO-2023072974-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-05-04 WO disclosed
US-11548871-B2 Triazole carbamate pyridyl sulfonamides as LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2023-01-10 US disclosed
US-20210171500-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2021-06-10 US disclosed
EP-3831812-A1 NOVEL 3, 5-DISUBSTITUTED PYRIDINE AND 3, 5-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND PHARMACEUTICAL USE OF SAME Mitsubishi Tanabe Pharma Corporation (JP) 2021-06-09 EP disclosed
WO-2020243379-A1 SUBSTITUTED 1-OXO-ISOINDOLINE-5-CARBOXAMIDE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH CELGENE CORPORATION (US) 2020-12-03 WO disclosed
EP-3621141-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2020-03-11 EP disclosed
US-20190229372-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2019-07-25 US disclosed
EP-0923562-A1 SUBSTITUTED P-TRIFLUOROMETHYLPHENYLURACILS BAYER AG (DE) 1999-06-23 EP disclosed
EP-0851861-A1 SUBSTITUTED 1-AMINO-3-PHENYLURACIL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AG (DE) 1998-07-08 EP disclosed
WO-1998025909-A1 3-AMINO-1-CYANOPHENYL-URACILS BAYER AKTIENGESELLSCHAFT (DE) 1998-06-18 WO disclosed
EP-0842155-A1 SUBSTITUTED AMINOURACILS BAYER AG (DE) 1998-05-20 EP disclosed
WO-1998006706-A1 SUBSTITUTED P-TRIFLUOROMETHYLPHENYLURACILS BAYER AKTIENGESELLSCHAFT (DE) 1998-02-19 WO disclosed
WO-1997009319-A1 SUBSTITUTED 1-AMINO-3-PHENYLURACIL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-03-13 WO disclosed
WO-1997005116-A1 SUBSTITUTED AMINOURACILS BAYER AKTIENGESELLSCHAFT (DE) 1997-02-13 WO disclosed
WO-1997001541-A1 SUBSTITUTED CYANOPHENYL URACILS BAYER AKTIENGESELLSCHAFT (DE) 1997-01-16 WO disclosed
US-4946611-A LUBRICANT, COMPATIBLE WITH FLON REFRIGERANTS IDEMITSU KOSAN CO., LTD. (JP) 1990-08-07 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 (5 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-20190053492-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS PESTICIDES CHRM1, CHRM2, ACHE CYP1A2 47/4885SIGMAR1 2858/4885CHRM5 32/4885
US-11548871-B2 Triazole carbamate pyridyl sulfonamides as LPA receptor antagonists and uses thereof LPAR3, LPAR1, LPAR2 CYP1A2 2435/4885SIGMAR1 369/4885CHRM5 1260/4885
US-11999717-B2 Triazole carbamate pyridyl sulfonamides as LPA receptor antagonists and uses thereof LPAR3, LPAR1, LPAR2 CYP1A2 2435/4885SIGMAR1 369/4885CHRM5 1260/4885
US-20210171500-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR3, LPAR1, LPAR2 CYP1A2 2435/4885SIGMAR1 369/4885CHRM5 1260/4885
US-20230212149-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR3, LPAR1, LPAR2 CYP1A2 2435/4885SIGMAR1 369/4885CHRM5 1260/4885

“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.