SCHEMBL3914573

SCHEMBL3914573

O=C(O)c1sc(F)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.36
BCKDK O14874 1/20 0.33
PTPN1 P18031 1/20 0.33
GPR35 Q9HC97 4/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL18701625 0.88 DAO (0.39) DAOBCKDKPTPN1GPR35ALDH1A1
SCHEMBL18701645 0.82 DAO (0.32) DAOBCKDKPTPN1
SCHEMBL18701576 0.80 BCKDK (0.44) DAOBCKDKGPR35ALDH1A1HPGD
SCHEMBL18701553 0.80 BCKDK (0.41) DAOBCKDKGPR35ALDH1A1HPGD
SCHEMBL18701941 0.77 BCKDK (0.38) DAOBCKDKGPR35ALDH1A1HPGD
SCHEMBL27524190 0.75 PTPN1 (0.36) PTPN1ALDH1A1TSHR
SCHEMBL18701653 0.74 DAO (0.33) DAOBCKDKALDH1A1HPGDTSHR
SCHEMBL18701558 0.74 DAO (0.33) DAOBCKDKPTPN1GPR35ALDH1A1
SCHEMBL28791411 0.74
SCHEMBL28791414 0.72

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-20180282605-A1 METHOD OF MONITORING A PARAMETER OF A HYDROCARBON WELL, PIPELINE OR FORMATION JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2018-10-04 US disclosed
WO-2017060699-A1 METHOD OF MONITORING A PARAMETER OF A HYDROCARBON WELL, PIPELINE OR FORMATION JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2017-04-13 WO disclosed
US-7501530-B2 Trifluoromethyl-thiophene carboxylic acid aniledes and use thereof as fungicides BASF AKTIENGESELLSCHAFT (DE) 2009-03-10 US disclosed
US-20060172891-A1 Trifluoromethyl-thiophene carboxylic acid aniledes and use thereof as fungicides BASF AKTIENGESELLSCHAFT (DE) 2006-08-03 US disclosed
US-6183892-B1 SUBSTRATE COMPRISING GLASS, WHEREIN SUBSTRATE SURFACE UNIFORMLY HAS MINUTE GROOVES HAVING SPECIFIED LENGTH AND WIDTH MITSUBISHI CHEMICAL CORPORATION (JP) 2001-02-06 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-20060172891-A1 Trifluoromethyl-thiophene carboxylic acid aniledes and use thereof as fungicides AS3MT, GABBR1, TH DAO 96/4885BCKDK 1374/4885PTPN1 110/4885

“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.