SCHEMBL4177117

SCHEMBL4177117

COc1ccc(CS(=O)(=O)/C(=C\c2c(F)c(F)c(F)c(F)c2F)[N+](=O)[O-])cc1OC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ CA9 Q16790 3/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL4177115 1.00 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAMAPTHDAC8
SCHEMBL4177119 1.00 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAMAPTHDAC8
SCHEMBL4181869 0.90 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2LMNAPOLBMEN1
SCHEMBL4181857 0.90 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2LMNAPOLBMEN1
SCHEMBL4181865 0.90 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2LMNAPOLBMEN1
SCHEMBL4185305 0.84 TXNRD1 (0.40) ALDH1A1SMN1; SMN2HDAC8CA1CA2
SCHEMBL4185310 0.84 TXNRD1 (0.40) ALDH1A1SMN1; SMN2HDAC8CA1CA2
SCHEMBL4185303 0.84 TXNRD1 (0.40) ALDH1A1SMN1; SMN2HDAC8CA1CA2
SCHEMBL4191723 0.81 TSHR (0.45) ALDH1A1SMN1; SMN2LMNAPOLBCA9
SCHEMBL4191732 0.81 TSHR (0.45) ALDH1A1SMN1; SMN2LMNAPOLBCA9

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-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-07-30 — — 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-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof ARSA, STS, SULT2A1 ALDH1A1 249/4885SMN1; SMN2 448/4885LMNA 4621/4885

“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.

Send feedback