SCHEMBL3594763

SCHEMBL3594763

O=C(O)c1cccnc1SCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
CYP2C9 P11712 1/20 1.00
SMN1; SMN2 Q16637 4/20 0.78
TP53 P04637 1/20 0.78
NPC1 O15118 2/20 0.75
RAB9A P51151 2/20 0.75
GAA P10253 1/20 0.75
MEN1 O00255 4/20 0.72
KMT2A Q03164 4/20 0.72
L3MBTL1 Q9Y468 3/20 0.72
PKM P14618 2/20 0.72
KDM4E B2RXH2 1/20 0.59
HTT P42858 1/20 0.59
HSP90AA1 P07900 1/20 0.54
POLB P06746 1/20 0.53

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
Hydrochloric Acid SCHEMBL10517128 0.98 ALDH1A1 (0.97) ALDH1A1CYP2C9SMN1; SMN2TP53NPC1
SCHEMBL4018329 0.91 ALDH1A1 (0.83) ALDH1A1CYP2C9SMN1; SMN2TP53NPC1
SCHEMBL3417681 0.88 ALDH1A1 (0.78) ALDH1A1CYP2C9SMN1; SMN2TP53NPC1
SCHEMBL9370578 0.88 ALDH1A1 (0.78) ALDH1A1CYP2C9SMN1; SMN2TP53NPC1
SCHEMBL4016994 0.87 ALDH1A1 (0.76) ALDH1A1CYP2C9SMN1; SMN2TP53NPC1
SCHEMBL3171933 0.86 SMN1; SMN2 (1.00) ALDH1A1CYP2C9SMN1; SMN2TP53NPC1
SCHEMBL13207381 0.85 ALDH1A1 (0.74) ALDH1A1CYP2C9SMN1; SMN2TP53NPC1
SCHEMBL14291480 0.84 MEN1 (0.73) ALDH1A1CYP2C9SMN1; SMN2TP53NPC1
SCHEMBL14426616 0.84 MEN1 (1.00) ALDH1A1CYP2C9SMN1; SMN2TP53NPC1
SCHEMBL7010784 0.84 ALDH1A1 (0.72) ALDH1A1CYP2C9SMN1; SMN2TP53NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745631-B2 Reacting 2-chloro-3-cyanopyridine with benzyl mercaptan in the presence of a sodium carbonate and an aprotic solvent; hydrolyzing resulting intermediate; no need for purification JUBILANT ORGANOSYS LIMITED (IN) 2010-06-29 US claimed
US-20080139817-A1 Process For Producing 2-(Phenyl Methyl Thio)-3-Pyridine Carboxylic Acid JUBILANT ORGANOSYS LIMITED (IN) 2008-06-12 US claimed
WO-2005097748-A1 PROCESS FOR PRODUCING 2-(PHENYL METHYL THIO)-3-PYRIDINE CARBOXYLIC ACID JUBILANT ORGANOSYS LIMITED (IN) 2005-10-20 WO claimed
CN-106928134-B A kind of preparation facilities and synthetic method of nicosulfuron intermediate 山东理工大学 2019-07-16 CN disclosed
US-9340505-B2 Type III secretion inhibitors, analogs and uses thereof UNIVERSITY OF MASSACHUSETTS (US) 2016-05-17 US disclosed
US-20140323483-A1 TYPE III SECRETION INHIBITORS, ANALOGS AND USES THEREOF UNIVERSITY OF MASSACHUSETTS (US) 2014-10-30 US disclosed
US-20110034463-A1 TYPE III SECRETION INHIBITORS, ANALOGS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 US disclosed
US-7745631-B2 Reacting 2-chloro-3-cyanopyridine with benzyl mercaptan in the presence of a sodium carbonate and an aprotic solvent; hydrolyzing resulting intermediate; no need for purification JUBILANT ORGANOSYS LIMITED (IN) 2010-06-29 US disclosed
US-7745631-B2 Reacting 2-chloro-3-cyanopyridine with benzyl mercaptan in the presence of a sodium carbonate and an aprotic solvent; hydrolyzing resulting intermediate; no need for purification JUBILANT ORGANOSYS LIMITED (IN) 2010-06-29 US disclosed
US-7745631-B2 Reacting 2-chloro-3-cyanopyridine with benzyl mercaptan in the presence of a sodium carbonate and an aprotic solvent; hydrolyzing resulting intermediate; no need for purification JUBILANT ORGANOSYS LIMITED (IN) 2010-06-29 US disclosed
US-20080139817-A1 Process For Producing 2-(Phenyl Methyl Thio)-3-Pyridine Carboxylic Acid JUBILANT ORGANOSYS LIMITED (IN) 2008-06-12 US disclosed
WO-2005097748-A1 PROCESS FOR PRODUCING 2-(PHENYL METHYL THIO)-3-PYRIDINE CARBOXYLIC ACID JUBILANT ORGANOSYS LIMITED (IN) 2005-10-20 WO disclosed
EP-0237292-B1 Herbicidal pyridine sulfonamides DU PONT (US) 1994-02-02 EP disclosed
EP-0547035-A1 Pyridinecarboxamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-06-16 EP disclosed
US-5008393-A Kills grasses, safe for corn; pre- and postemergence E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-04-16 US disclosed
EP-0314302-A2 Herbicidal o-carbomethoxy-sulfonylureas E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-05-03 EP disclosed
WO-1989002700-A2 HERBICIDAL O-CARBOMETHOXYSULFONYLUREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-04-06 WO disclosed
US-4789393-A SAFE TO CORN E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-12-06 US disclosed
US-4786734-A FOR GRASSES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-11-22 US disclosed
EP-0237292-A2 Herbicidal pyridine sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-09-16 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-20110034463-A1 TYPE III SECRETION INHIBITORS, ANALOGS AND USES THEREOF GBA3, CLPP, PEX3 ALDH1A1 4877/4885CYP2C9 4055/4885SMN1; SMN2 4655/4885
US-20140323483-A1 TYPE III SECRETION INHIBITORS, ANALOGS AND USES THEREOF GBA3, CLPP, PEX3 ALDH1A1 4877/4885CYP2C9 4055/4885SMN1; SMN2 4655/4885

“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.