SCHEMBL4172963

SCHEMBL4172963

O=C(O)CCc1ccccc1CS

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.54
FFAR1 O14842 5/20 0.50
PTGER1 P34995 4/20 0.50
PTGER4 P35408 4/20 0.50
PTGER3 P43115 4/20 0.50
PTGER2 P43116 4/20 0.50
FOLH1 Q04609 1/20 0.46
HDAC3 O15379 1/20 0.45
MAPK1 P28482 1/20 0.45
ADRA1A P35348 1/20 0.45
HDAC4 P56524 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC1 Q13547 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL59198 0.89 KEAP1 (0.65) KEAP1FFAR1PTGER1PTGER4PTGER3
SCHEMBL19140662 0.88 FOLH1 (0.60) KEAP1FFAR1PTGER1PTGER4PTGER3
SCHEMBL3728799 0.81 CYP4F2 (0.58) KEAP1FFAR1PTGER1PTGER4PTGER3
SCHEMBL8019696 0.81 AKR1B1 (0.59) KEAP1FFAR1PTGER1PTGER4PTGER3
SCHEMBL8573204 0.81 KEAP1 (0.56) KEAP1FFAR1PTGER1PTGER4PTGER3
SCHEMBL878984 0.81 KEAP1 (0.56) KEAP1FFAR1PTGER1PTGER4PTGER3
SCHEMBL8851286 0.79 KEAP1 (0.54) KEAP1FFAR1PTGER1PTGER4PTGER3
SCHEMBL22826567 0.79 MAPT (0.62) KEAP1FFAR1PTGER1PTGER4PTGER3
SCHEMBL10576803 0.79 KEAP1 (0.54) KEAP1FFAR1PTGER1PTGER4PTGER3
SCHEMBL8109289 0.79 KEAP1 (0.54) KEAP1FFAR1PTGER1PTGER4PTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247608-B2 Aminoacid derivatives containing a disulfanyl group in the form of mixed disulfanyl and aminopeptidase N inhibitors PHARMALEADS (FR) 2012-08-21 US disclosed
US-8247609-B2 Aminoacid derivatives containing a disulfanyl group in the form of mixed disulfanyl and aminopeptidase N inhibitors Pharamleads (FR) 2012-08-21 US disclosed
US-20090131509-A1 Aminoacid Derivatives Containing a Disulfanyl Group in the form of Mixed Disulfanyl and Aminopeptidase N Inhibitors PHARMALEADS (FR) 2009-05-21 US disclosed
US-20090012153-A1 AMINOACID DERIVATIVES CONTAINING A DISULFANYL GROUP IN THE FORM OF MIXED DISULFANYL AND AMINOPEPTIDASE N INHIBITORS PHARMALEADS (FR) 2009-01-08 US disclosed
US-6013829-A REDUCING A MALONIC DIESTER, HYDRIDING TO OBTAIN A DIOL, ACETYLATING TO OBTAIN A MONOESTER, OXIDATION, SAPONIFICATION AND THIOACYLATING; ENZYME INHIBITORS; PROTEASES; OPTICS; ANTISECRETORY AND HYPOTENSIVE AGENTS SOCIETE CIVILE BIOPROJET (FR) 2000-01-11 US disclosed
US-5684185-A MULTISTAGE REACTION OF SULFIDING, REACTION WITH YLIDE, HYDROLYSIS, HYDROGENATION AND OXIDATION HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-04 US disclosed
US-5554788-A PROTEASE INHIBITORS HOECHST AKTIENGESELLSCHAFT (DE) 1996-09-10 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 (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-20090131509-A1 Aminoacid Derivatives Containing a Disulfanyl Group in the form of Mixed Disulfanyl and Aminopeptidase N Inhibitors HRH4, OPRL1, CNR2 KEAP1 2113/4885FFAR1 430/4885PTGER1 521/4885
US-20090012153-A1 AMINOACID DERIVATIVES CONTAINING A DISULFANYL GROUP IN THE FORM OF MIXED DISULFANYL AND AMINOPEPTIDASE N INHIBITORS HRH4, CNR2, OPRM1 KEAP1 2019/4885FFAR1 402/4885PTGER1 611/4885

“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.