SCHEMBL2808682

SCHEMBL2808682

Nc1cc(Cl)cc(S(=O)(=O)c2cc(N)cc(Cl)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.55
TP53 P04637 1/20 0.55
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 2/20 0.46
ALDH1A1 P00352 5/20 0.42
HTR6 P50406 3/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
MPO P05164 1/20 0.42
CYP2C9 P11712 1/20 0.42
PRMT1 Q99873 1/20 0.38
PKM P14618 1/20 0.38
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA9 Q16790 4/20 0.37
PIK3CA P42336 2/20 0.36
PIK3C3 Q8NEB9 2/20 0.36
CA12 O43570 2/20 0.35
CA4 P22748 2/20 0.35

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
SCHEMBL7183566 0.90 MEN1 (0.68) CYP3A4TP53MEN1KMT2ALMNA
SCHEMBL7181900 0.87 LMNA (0.71) CYP3A4TP53MEN1KMT2ALMNA
SCHEMBL13905714 0.84 CYP3A4 (0.52) CYP3A4TP53MEN1KMT2ALMNA
SCHEMBL7190058 0.84 CA1 (0.56) CYP3A4TP53MEN1KMT2ALMNA
SCHEMBL2875073 0.82 TP53 (0.50) CYP3A4TP53MEN1KMT2ALMNA
SCHEMBL29858642 0.82 TP53 (0.50) CYP3A4TP53MEN1KMT2ALMNA
SCHEMBL8165416 0.82 ALDH1A1 (0.50) CYP3A4TP53MEN1KMT2ALMNA
SCHEMBL1958683 0.82 ALDH1A1 (0.52) CYP3A4TP53MEN1KMT2AALDH1A1
SCHEMBL11657942 0.82 LMNA (0.56) CYP3A4MEN1KMT2ALMNAALDH1A1
SCHEMBL7185389 0.80 HSD11B1 (0.51) CYP3A4TP53MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 US disclosed
CN-101868444-A Acetylenic compound, salt thereof, condensate thereof, and composition thereof FUJIFILM CORP 2010-10-20 CN disclosed
US-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
CN-101808982-A Acetylene compound FUJIFILM CORP 2010-08-18 CN disclosed
EP-2202220-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF Fujifilm Corporation (JP) 2010-06-30 EP disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 EP disclosed
US-20030064235-A1 Optical members made of polymide resins MITSUI CHEMICALS, INC. (JP) 2003-04-03 US disclosed
EP-1237015-A1 OPTICAL MEMBERS MADE OF POLYIMIDE RESINS Mitsui Chemicals, Inc. (JP) 2002-09-04 EP 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B CYP3A4 1909/4885TP53 4250/4885MEN1 579/4885
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 CYP3A4 3918/4885TP53 3212/4885MEN1 379/4885

“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.