SCHEMBL7145541

SCHEMBL7145541

O=[N+]([O-])c1cccc(OS(=O)(=O)Cl)c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
GPR17 Q13304 10/20 0.49
P2RY2 P41231 4/20 0.49
CA2 P00918 1/20 0.49
CA5A P35218 1/20 0.49
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48

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
SCHEMBL7123260 0.86 TSHR (0.57) TSHRLMNAGAAHTTKMT2A
SCHEMBL22462541 0.83 TSHR (0.53) TSHRLMNAGAAHTTKMT2A
SCHEMBL8690576 0.83 TSHR (0.53) TSHRLMNAGAAHTTKMT2A
SCHEMBL9005003 0.83 GPR17 (0.55) TSHRLMNAGAAHTTKMT2A
SCHEMBL9451297 0.83 CA2 (0.64) TSHRLMNAGAAHTTKMT2A
SCHEMBL9000083 0.83 GPR17 (0.55) TSHRLMNAGAAHTTKMT2A
SCHEMBL17675159 0.83 TSHR (0.53) TSHRLMNAGAAHTTKMT2A
Methane SCHEMBL27556231 0.82 TSHR (0.50) TSHRLMNAGAAHTTKMT2A
SCHEMBL8966976 0.81 CHRNB2 (0.54) TSHRLMNAGAAHTTKMT2A
SCHEMBL28701811 0.81 TSHR (0.52) TSHRLMNAGAAHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2931703-B1 METHOD FOR PRODUCING BIS (3-AMINOPHENYL) DISULFIDES AND 3-AMINOTHIOLS BAYER CROPSCIENCE AG (DE) 2018-11-28 EP claimed
EP-2931703-B1 METHOD FOR PRODUCING BIS (3-AMINOPHENYL) DISULFIDES AND 3-AMINOTHIOLS BAYER CROPSCIENCE AG (DE) 2018-11-28 EP disclosed
EP-2931703-A1 METHOD FOR PRODUCING BIS(3-AMINOPHENYL)DISULFIDES AND 3-AMINOTHIOLS Bayer CropScience AG (DE) 2015-10-21 EP disclosed
WO-2014090913-A1 METHOD FOR PRODUCING BIS(3-AMINOPHENYL)DISULFIDES AND 3-AMINOTHIOLS BAYER CROPSCIENCE AG (DE) 2014-06-19 WO disclosed
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
US-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 US disclosed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 US disclosed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US disclosed
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP disclosed
US-5436370-A From nitrobenzene, chlorosulfonic acid, thionyl chloride HOECHST AG (DE) 1995-07-25 US disclosed
US-5086128-A HIGH MOLECULAR WEIGHT ARYLENE SULPHIDE POLYMER MELT MIXED WITH AROMATIC NITRO COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1992-02-04 US disclosed
WO-1991013863-A1 METHOD FOR PREPARING 3-NITROBENZENE SULPHONIC ACID CHLORIDE HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-19 WO disclosed
US-4656290-A Process for preparing thio, dithio or carbonyl compounds CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1987-04-07 US disclosed
EP-0093363-B1 PROCESS FOR THE PREPARATION OF DISULPHIDES CASSELLA Aktiengesellschaft (DE) 1987-01-14 EP disclosed
US-4587275-A AROMATIC DIAMINE WITH SULFONIC ACID GROUP AS CHAIN EXTENSION AGENT BAYER AKTIENGESELLSCHAFT (DE) 1986-05-06 US disclosed
EP-0093363-A1 Process for the preparation of disulphides CASSELLA Aktiengesellschaft (DE) 1983-11-09 EP disclosed
US-4388246-A THERMAL SPLITTING OF CARBAMATES BAYER AKTIENGESELLSCHAFT (DE) 1983-06-14 US disclosed
US-4368260-A Photographic light sensitive element KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1983-01-11 US disclosed
US-4195992-A AZO DYE AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1980-04-01 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-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 TSHR 166/4885LMNA 3184/4885GAA 4036/4885

“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.