Sugi Predict

Sugi Predict / Compounds / SCHEMBL7900430

SCHEMBL7900430

SCHEMBL7900430

[C-]#[N+]CS(=O)(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSIP1 O75475 1/20 0.54
▸ HTR6 P50406 1/20 0.44
▸ HSD11B1 P28845 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ POLB P06746 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA3 P07451 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ PLA2G7 Q13093 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA13 Q8N1Q1 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ CA5B Q9Y2D0 1/20 0.41

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
SCHEMBL7900403 0.78 NPC1 (0.48) HSD11B1ALDH1A1CA12CA1CA2
SCHEMBL1660614 0.78 ALDH1A1 (0.55) ALDH1A1CA12CA1CA2CA3
SCHEMBL1910 0.78 ALDH1A1 (0.55) ALDH1A1CA12CA1CA2CA3
SCHEMBL6922308 0.75 CA2 (0.52) PSIP1HSD11B1ALDH1A1CA2SMN1; SMN2
SCHEMBL2341706 0.75 ALDH1A1 (0.52) ALDH1A1CA12CA1CA2CA3
SCHEMBL7274454 0.74 PKM (0.53) ALDH1A1CA1CA2HTTGAA
Dimethyl Sulfoxide SCHEMBL4647339 0.72 ALDH1A1 (0.48) ALDH1A1CA12CA1CA2CA3
SCHEMBL64761 0.72 PSIP1 (0.67) PSIP1HTR6HSD11B1ALDH1A1POLB
SCHEMBL777601 0.72 PSIP1 (0.67) PSIP1HTR6HSD11B1ALDH1A1POLB
SCHEMBL60348 0.71 KEAP1 (0.43) HSD11B1ALDH1A1POLBTDP1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0505742-B1 Process for the production of 4-cyanopyrrole compounds substituted at the 3-position BAYER AG (DE) 2000-09-20 — — EP claimed
JP-61200984-A — — None — — JP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
US-20150239833-A1 COMPOSITION, SYNTHESIS, AND USE OF NEW ARYLSULFONYL ISONITRILES DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2015-08-27 — — US disclosed
US-20120046282-A1 METHODS AND COMPOUNDS FOR ANTIMICROBIAL INTERVENTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-02-23 — — US disclosed
US-7273886-B2 For therapy and prophylaxis of clotting disorders; useful for inhibiting serine protease enzymes, such as TF/factor VIIa, factor Xa, thrombin and kallikrein GENENTECH, INC. (US) 2007-09-25 — — US disclosed
US-20070049601-A1 BENZOFURAN INHIBITORS OF FACTOR VIIa GENENTECH, INC. (US) 2007-03-01 — — US disclosed
US-6204397-B1 FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-03-20 — — US disclosed
EP-0505742-B1 Process for the production of 4-cyanopyrrole compounds substituted at the 3-position BAYER AG (DE) 2000-09-20 — — EP disclosed
EP-0590459-B1 Process for the preparation of difluoro - and chlorofluorobenzodioxolanes BAYER AG (DE) 1997-07-23 — — EP disclosed
EP-0590459-A2 Process for the preparation of difluoro - and chlorofluorobenzodioxolanes BAYER AG (DE) 1994-04-06 — — EP disclosed
US-5258526-A Reacting aromatic bromide with acrylonitrile followed by cyclizing with a phenylsulphonylmethyl isocyanide BAYER AKTIENGESELLSCHAFT (DE) 1993-11-02 — — US disclosed
EP-0505742-A2 Process for the production of 4-cyanopyrrole compounds substituted at the 3-position BAYER AG (DE) 1992-09-30 — — EP disclosed
US-4680413-A Process for the production of 3-phenyl-4-cyanopyrroles NIPPON SODA CO., LTD. (JP) 1987-07-14 — — US disclosed
US-4647410-A Novel 17-substituted steroids GIST-BROCADES N.V. (NL) 1987-03-03 — — US disclosed
EP-0124934-B1 17-(ISOCYANO-SULFONYLMETHYLENE)-STEROIDS, 17-(FORMAMIDO-SULFONYLMETHYLENE)-STEROIDS AND THEIR PREPARATION GIST-BROCADES N.V. (NL) 1986-11-20 — — EP disclosed
JP-S61200984-A PRODUCTION OF PYRROLE DERIVATIVE NIPPON SODA CO LTD 1986-09-05 — — JP disclosed
EP-0124934-A1 17-(Isocyano-sulfonylmethylene)-steroids, 17-(formamido-sulfonylmethylene)-steroids and their preparation GIST-BROCADES N.V. (NL) 1984-11-14 — — EP disclosed
EP-0123734-A1 17-(Isocyano-sulfonylmethylene)-steroids, 17-(formamido-sulfonylmethylene)-steroids and their preparation GIST-BROCADES N.V. (NL) 1984-11-07 — — EP disclosed
EP-0007672-A1 Isocyanoalkenes, process and useful intermediates for their preparation, pharmaceutical and fungicidal preparations containing those isocyanoalkenes and the use of the fungicidal preparations in agriculture GIST-BROCADES N.V. (NL) 1980-02-06 — — 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 (3 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-20120046282-A1 METHODS AND COMPOUNDS FOR ANTIMICROBIAL INTERVENTION FDFT1, COASY, KAT5 PSIP1 3449/4885HTR6 4755/4885HSD11B1 2200/4885
US-20070049601-A1 BENZOFURAN INHIBITORS OF FACTOR VIIa TFPI, HABP2, F7 PSIP1 2178/4885HTR6 1681/4885HSD11B1 1793/4885
US-20150239833-A1 COMPOSITION, SYNTHESIS, AND USE OF NEW ARYLSULFONYL ISONITRILES SRMS, AADAC, CYP3A4 PSIP1 615/4885HTR6 2267/4885HSD11B1 1720/4885

“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.