SCHEMBL8436579

SCHEMBL8436579

O=C(O)/C(S)=C/c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.52
KMT2A Q03164 1/20 0.47
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL8436581 1.00 HCAR2 (0.52) HCAR2KMT2AMAPTLMNANPSR1
SCHEMBL8303644 0.80 HCAR2 (0.55) HCAR2KMT2AMAPTLMNANPSR1
SCHEMBL11539420 0.80 HCAR2 (0.55) HCAR2KMT2AMAPTLMNANPSR1
SCHEMBL8303646 0.80 HCAR2 (0.55) HCAR2KMT2AMAPTLMNANPSR1
SCHEMBL1930557 0.77 AKR1C3 (0.52) HCAR2KMT2AMAPTLMNANPSR1
SCHEMBL9709967 0.77 HCAR2 (0.52) HCAR2KMT2AMAPTLMNANPSR1
SCHEMBL9709963 0.77 HCAR2 (0.52) HCAR2KMT2AMAPTLMNANPSR1
SCHEMBL8182843 0.77 AKR1C3 (0.52) HCAR2KMT2AMAPTLMNANPSR1
SCHEMBL9709969 0.77 HCAR2 (0.52) HCAR2KMT2AMAPTLMNANPSR1
SCHEMBL11074309 0.76 HCAR2 (0.50) HCAR2KMT2AMAPTLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4169149-A Use of α-mercapto-β-arylacrylic acid derivatives in heavy metal poisoning GIROUX EUGENE L 1979-09-25 US claimed
US-4130653-A 2-MERCAPTO-3-ARYL ACRYLIC ACID MERRELL TORAUDE ET COMPAGNIE (FR) 1978-12-19 US claimed
US-4124718-A ADMINISTERING A-MERCAPTO-B-ARYL-ACRYLIC ACIDS MERRELL TORAUDE ET COMPAGNIE (FR) 1978-11-07 US claimed
US-20140087003-A1 METHOD FOR TREATING VENOMOUS BITES AND STINGS CISNEROS IGNACIO (US) 2014-03-27 US disclosed
US-5929249-A ANGIOTENSIN II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-07-27 US disclosed
US-5728842-A ANGIOTENSIN II RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION (US) 1998-03-17 US disclosed
EP-0653937-A4 CHEMICAL COMPOUNDS. SMITHKLINE BEECHAM CORP (US) 1996-07-31 EP disclosed
EP-0653937-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-05-24 EP disclosed
WO-1994000120-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1994-01-06 WO disclosed
US-4439443-A REDUCE HEMORRHAGE WITH MERCAPTO THIENYL ACRYLIC ACIDS OR DISULFIDES RICHARDSON-MERRELL INC. (US) 1984-03-27 US disclosed
US-4347255-A REDUCING HEMORRHAGE AND NECROSIS WITH ALPHA-MERCAPTO-BETA-HETERO ACRYLIC ACIDS AND DISULFIDES RICHARDSON-MERRELL INC. (US) 1982-08-31 US disclosed
US-4226882-A Use of α,α'-dithiobis-(β-arylacrylic acid) derivatives in the treatment of hypertension MERRELL TORAUDE ET COMPAGNIE (FR) 1980-10-07 US disclosed
US-4210664-A Use of α,α'-dithiobis(β-arylacrylic acid) derivatives to enhance zinc serum and tissue concentrations MERRELL TORAUDE ET COMPAGNIE (FR) 1980-07-01 US disclosed
US-4210665-A Use of α,α'-dithiobis(β-arylacrylic acid) derivatives in heavy metal poisoning MERRELL TORAUDE ET COMPAGNIE (FR) 1980-07-01 US disclosed
US-4169149-A Use of α-mercapto-β-arylacrylic acid derivatives in heavy metal poisoning GIROUX EUGENE L 1979-09-25 US disclosed
US-4130653-A 2-MERCAPTO-3-ARYL ACRYLIC ACID MERRELL TORAUDE ET COMPAGNIE (FR) 1978-12-19 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-20140087003-A1 METHOD FOR TREATING VENOMOUS BITES AND STINGS STING1, CPA3, GZMB HCAR2 2487/4885KMT2A 2091/4885MAPT 2913/4885

“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.