SCHEMBL3010846

SCHEMBL3010846

Cn1nc(-c2ccc(S(=O)(=O)Cl)s2)cc1C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
PTGES2 Q9H7Z7 1/20 0.58
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.53
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
PKM P14618 1/20 0.35
MAPT P10636 3/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
FUBP1 Q96AE4 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL1593778 0.86 PTGES2 (0.67) GAAL3MBTL1PTGES2ALDH1A1POLB
SCHEMBL2633819 0.86 GAA (0.67) GAAL3MBTL1PTGES2ALDH1A1POLB
SCHEMBL7147449 0.85 L3MBTL1 (0.48) GAAL3MBTL1PTGES2ALDH1A1POLB
SCHEMBL1594800 0.84 GAA (0.61) GAAL3MBTL1PTGES2ALDH1A1POLB
SCHEMBL1594279 0.80 GAA (0.65) GAAL3MBTL1PTGES2ALDH1A1POLB
SCHEMBL3473873 0.80 PTGES2 (0.63) GAAL3MBTL1PTGES2ALDH1A1POLB
SCHEMBL3473539 0.79 PTGES2 (0.65) GAAL3MBTL1PTGES2ALDH1A1POLB
SCHEMBL3472654 0.78 PTGES2 (0.64) GAAL3MBTL1PTGES2ALDH1A1POLB
SCHEMBL3472410 0.78 PTGES2 (0.64) GAAL3MBTL1PTGES2ALDH1A1POLB
SCHEMBL16502999 0.78 PTGES2 (0.64) GAAL3MBTL1PTGES2ALDH1A1POLB

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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10800730-B2 Complex and structurally diverse compounds THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-10-13 US disclosed
US-20190152891-A1 COMPLEX AND STRUCTURALLY DIVERSE COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-05-23 US disclosed
US-10081592-B2 Complex and structurally diverse compounds THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-09-25 US disclosed
EP-2188272-B1 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND NV (BE) 2016-02-24 EP disclosed
US-20150274638-A1 COMPLEX AND STRUCTURALLY DIVERSE COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-10-01 US disclosed
US-8722681-B2 N-sulfonyl thiazolylpiperazine derivatives and related N-sulfonyl heterocyclic derivatives for the treatment of neuro degenerative diseases NV REMYND (BE) 2014-05-13 US disclosed
WO-2013142873-A2 COMPLEX AND STRUCTURALLY DIVERSE COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-09-26 WO disclosed
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 US disclosed
WO-2010146236-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORP. (FI) 2010-12-23 WO disclosed
WO-1999016751-A1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 1999-04-08 WO disclosed
EP-0699191-B1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORP (US) 1998-12-16 EP disclosed
EP-0870764-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-10-14 EP disclosed
EP-0819125-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-01-21 EP disclosed
US-5594021-A VASOCONSTRICTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-01-14 US disclosed
US-5591761-A Thiophenyl-, furyl-and pyrrolyl-sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-01-07 US disclosed
US-5571821-A CARDIOVASCULAR DISORDERS TO MODULATE ENDOTHELIN, HYPOTENSIVE AGENTS AND VASOCONSTRICTION TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-11-05 US disclosed
WO-1996031492-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-10-10 WO disclosed
EP-0699191-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-03-06 EP disclosed
WO-1994027979-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN IMMUNOPHARMACEUTICS, INC. (US) 1994-12-08 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 (5 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-20150274638-A1 COMPLEX AND STRUCTURALLY DIVERSE COMPOUNDS CYP11A1, LSS, CYP17A1 GAA 985/4885L3MBTL1 4582/4885PTGES2 2819/4885
US-10081592-B2 Complex and structurally diverse compounds CYP11A1, LSS, CYP17A1 GAA 1321/4885L3MBTL1 4627/4885PTGES2 2715/4885
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES ITGA1, ITGB1, ITGA2B GAA 4118/4885L3MBTL1 4803/4885PTGES2 803/4885
US-10800730-B2 Complex and structurally diverse compounds CYP11A1, LSS, CYP17A1 GAA 985/4885L3MBTL1 4582/4885PTGES2 2819/4885
US-20190152891-A1 COMPLEX AND STRUCTURALLY DIVERSE COMPOUNDS CYP11A1, LSS, CYP17A1 GAA 985/4885L3MBTL1 4582/4885PTGES2 2819/4885

“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.