SCHEMBL7199128

SCHEMBL7199128

CCOCc1ccc(C(O)C#Cc2cccs2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.39
FFAR1 O14842 1/20 0.35
DPP4 P27487 1/20 0.35
USP2 O75604 1/20 0.34
GRM5 P41594 1/20 0.33
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RET P07949 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL7204212 0.87 RET (0.37) ALOX5FFAR1DPP4GRM5TSHR
SCHEMBL7200067 0.85 FFAR1 (0.39) FFAR1USP2GRM5TSHRALDH1A1
SCHEMBL7200059 0.83 FFAR1 (0.43) FFAR1GRM5ALDH1A1MAPTPKM
SCHEMBL7201711 0.82 RAB9A (0.44) TSHRALDH1A1MAPTHPGDL3MBTL1
SCHEMBL7200571 0.81 FFAR1 (0.41) FFAR1GRM5ALDH1A1MAPTHPGD
SCHEMBL7200475 0.79 FFAR1 (0.36) ALOX5FFAR1GRM5ALDH1A1MAPT
SCHEMBL7205975 0.79 AHR (0.39) FFAR1GRM5TSHRALDH1A1MAPT
SCHEMBL7199032 0.78 GRM5 (0.40) ALOX5FFAR1GRM5ALDH1A1MAPT
SCHEMBL7204981 0.78 GRM5 (0.43) FFAR1GRM5ALDH1A1MAPTPKM
SCHEMBL7203626 0.77 NPC1 (0.43) TSHRALDH1A1MAPTHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605730-B2 3-(2-Thienyl)-5-phenyl-1H-pyrazole compounds of given formula NIHON BAYER AGROCHEM K.K. (JP) 2003-08-12 US disclosed
US-20030028034-A1 Nematicidal pyrazoles WADA KATSUAKI (JP) 2003-02-06 US disclosed
US-6310049-B1 3-(2-THIENYL),5-(SUBSTITUTED PHENYL)-1H-PYRAZOLES AND 3-(SUBSTITUTED PHENYL),5-(2-THIENYL)-1H-PYRAZOLES OF GIVEN FORMULA; ANTHELMINTICS NIHON BAYER AGROCHEM K.K. (JP) 2001-10-30 US disclosed
EP-1104418-A2 NEMATICIDAL PYRAZOLES NIHON BAYER AGROCHEM K.K. (JP) 2001-06-06 EP disclosed
WO-2000009500-A2 NEMATICIDAL PYRAZOLES NIHON BAYER AGROCHEM K.K. (JP) 2000-02-24 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 (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-20030028034-A1 Nematicidal pyrazoles CBR3, CBR1, CCR4 ALOX5 299/4885FFAR1 1261/4885DPP4 663/4885

“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.