SCHEMBL18059154

SCHEMBL18059154

O=C(O)c1sc(CF)nc1Br

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
GPR35 Q9HC97 6/20 0.32
PTPN1 P18031 1/20 0.32
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL9644914 0.78 ALDH1A1 (0.33) ALDH1A1HPGDTSHRHSP90AA1
SCHEMBL625723 0.74 ALDH1A1 (0.39) ALDH1A1HPGDTSHRGPR35PTPN1
SCHEMBL5329779 0.74 SMN1; SMN2 (0.47) ALDH1A1HPGDTSHR
SCHEMBL16346305 0.69 GPR35 (0.42) ALDH1A1HPGDTSHRGPR35
SCHEMBL9643713 0.67 ALDH1A1 (0.34) ALDH1A1HPGDTSHRHSP90AA1
SCHEMBL20894398 0.65 ALDH1A1 (0.36) ALDH1A1HPGDTSHRGPR35PTPN1
SCHEMBL9643782 0.65 ALDH1A1 (0.34) ALDH1A1HPGDTSHRGPR35HSP90AA1
SCHEMBL18173828 0.64 GPR35 (0.42) ALDH1A1HPGDTSHRGPR35
SCHEMBL9281341 0.63
Hydrochloric Acid SCHEMBL29273339 0.63 GPR35 (0.41) ALDH1A1HPGDTSHRGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160255837-A1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-09-08 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-20160255837-A1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS DDT, TST, SCLY ALDH1A1 2859/4885HPGD 1937/4885TSHR 491/4885

“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.