SCHEMBL7835580

SCHEMBL7835580

O=S(=O)(NCCCl)Nc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.45
CA1 P00915 3/20 0.45
KEAP1 Q14145 2/20 0.45
IL1RN P18510 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
PKM P14618 2/20 0.41
MEN1 O00255 1/20 0.41
CA12 O43570 4/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
PGR P06401 1/20 0.39
NAMPT P43490 1/20 0.38
CA9 Q16790 3/20 0.38
PRMT1 Q99873 1/20 0.38
SLC40A1 Q9NP59 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL15444483 0.89 KEAP1 (0.42) CA2CA1KEAP1IL1RNERAP1
SCHEMBL10192167 0.81 CA1 (0.48) CA2CA1KMT2AALDH1A1MEN1
SCHEMBL10192170 0.81 HTT (0.49) KMT2AALDH1A1PKMMEN1LMNA
SCHEMBL19798391 0.78 CA1 (0.55) CA2CA1KEAP1KMT2AALDH1A1
SCHEMBL59151 0.76 KEAP1 (0.64) CA2CA1KEAP1IL1RNERAP1
SCHEMBL10533917 0.76 KEAP1 (0.54) CA2CA1KEAP1IL1RNERAP1
SCHEMBL29124111 0.75 PPARA (0.55) CA2CA1KMT2AALDH1A1PKM
Water SCHEMBL27995894 0.74 CA2 (0.52) CA2CA1KEAP1IL1RNERAP1
SCHEMBL4497321 0.74 CA2 (0.73) CA2CA1KEAP1KMT2AALDH1A1
SCHEMBL17199172 0.74 KEAP1 (0.47) CA2CA1KEAP1IL1RNERAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170135992-A1 CYCLIC SULFONAMIDE CONTAINING DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAY NANT HOLDINGS IP, LLC 2017-05-18 US disclosed
US-9499539-B2 Cyclic sulfonamide containing derivatives as inhibitors of hedgehog signaling pathway NANTBIOSCIENCE, INC. (US) 2016-11-22 US disclosed
US-20150299190-A1 CYCLIC SULFONAMIDE CONTAINING DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAY NANT HOLDINGS IP, LLC 2015-10-22 US disclosed
CN-1189466-C New direct chain or cyclic urea, its preparing method and medicinal composition containing them ADIR (FR) 2005-02-16 CN disclosed
EP-1113014-A1 Linear or cyclic ureas, a process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-07-04 EP disclosed
CN-1301699-A New direct chain or cyclic urea, its preparing method and medicinal composition containing them ADIR (FR) 2001-07-04 CN 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 (2 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-20150299190-A1 CYCLIC SULFONAMIDE CONTAINING DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAY SMO, SHH, SOS1 CA2 1021/4885CA1 2770/4885KEAP1 1717/4885
US-20170135992-A1 CYCLIC SULFONAMIDE CONTAINING DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAY SMO, SHH, SOS1 CA2 1021/4885CA1 2770/4885KEAP1 1717/4885

“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.