SCHEMBL2892736

SCHEMBL2892736

Cn1nc(C(F)(F)F)c(C[S@+]([O-])c2ncc(Br)s2)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP3A4 P08684 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
CYP1A2 P05177 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
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
SCHEMBL2885500 1.00 ALDH1A1 (0.36) ALDH1A1LMNACYP2C9CYP2C19CYP3A4
SCHEMBL2885498 1.00 ALDH1A1 (0.36) ALDH1A1LMNACYP2C9CYP2C19CYP3A4
SCHEMBL4170973 0.83
SCHEMBL2885014 0.81 ALOX5AP (0.30)
SCHEMBL2892163 0.81 ALOX5AP (0.30)
SCHEMBL2885013 0.81 ALOX5AP (0.30)
SCHEMBL2892161 0.75 CYP2C9 (0.35) ALDH1A1LMNACYP2C9CYP2C19CYP3A4
SCHEMBL4171920 0.74 ALDH1A1 (0.39) ALDH1A1LMNACYP2C9CYP2C19CYP3A4
SCHEMBL1028747 0.73 ALDH1A1 (0.36) ALDH1A1LMNACYP2C9CYP2C19CYP3A4
SCHEMBL4172372 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754234-B2 Chiral 2-(benzylsulfinyl)thiazole derivatives and 2-[(1H-pyrazol-4-ylmethyl)sulfinyl]thiazole derivatives, processes for their preparation and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2014-06-17 US disclosed
US-20100285958-A1 Chiral 2-(benzylsulfinyl)Thiazole derivatives and 2-[(1H-pyrazol-4-ylmethyl)sulfinyl]thiazole derivatives, processes for their preparation and their use as herbicides and plant growth regulators BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-11-11 US disclosed
EP-2057116-A1 NEW PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS Richter Gedeon NYRT (HU) 2009-05-13 EP disclosed
WO-2008050167-A1 NEW PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2008-05-02 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-20100285958-A1 Chiral 2-(benzylsulfinyl)Thiazole derivatives and 2-[(1H-pyrazol-4-ylmethyl)sulfinyl]thiazole derivatives, processes for their preparation and their use as herbicides and plant growth regulators STS, SULT2A1, SLTM ALDH1A1 933/4885LMNA 4704/4885CYP2C9 216/4885

“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.