SCHEMBL7200317

SCHEMBL7200317

O=C(C#Cc1cccs1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
PTPN1 P18031 2/20 0.42
GSK3B P49841 2/20 0.42
CYP1A1 P04798 1/20 0.40
MAOB P27338 1/20 0.40
CYP1B1 Q16678 1/20 0.40
SRD5A2 P31213 1/20 0.40
HSD11B1 P28845 1/20 0.38
GRM5 P41594 1/20 0.38
MMP1 P03956 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
FFAR1 O14842 1/20 0.37
PDPK1 O15530 1/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL7855707 0.87 CYP1A1 (0.52) CYP1A1MAOBCYP1B1RAB9A
SCHEMBL7202454 0.87 MAPT (0.46) SRD5A2RAB9A
SCHEMBL7204230 0.84 APP (0.47) CES2CES1PTPN1GRM5FFAR1
SCHEMBL7199088 0.83 KCNA5 (0.42) TLR7RAB9A
SCHEMBL7200606 0.83 APP (0.49) CES2GRM5FFAR1RAB9A
SCHEMBL7843701 0.83 RAB9A (0.43) CYP1A1MAOBCYP1B1FFAR1RAB9A
SCHEMBL7202747 0.82 HSP90AA1 (0.49) CES1GRM5FFAR1RAB9A
SCHEMBL7203523 0.81 RAB9A (0.49) CES2CES1GSK3BFFAR1RAB9A
SCHEMBL7201310 0.81 VCP (0.57) CES2CES1GRM5FFAR1RAB9A
SCHEMBL7204585 0.81 APP (0.51) CES2CES1GSK3BGRM5FFAR1

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 3 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

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 CES2 133/4885CES1 134/4885PTPN1 2765/4885

“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.