SCHEMBL4446997

SCHEMBL4446997

CNC(C(C)=O)c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
KEAP1 Q14145 1/20 0.43
TSHR P16473 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38

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 SCHEMBL6379454 0.98 ALOX5 (0.42) ALOX5CES2CES1KEAP1TSHR
SCHEMBL11534783 0.85 ALOX5 (0.44) ALOX5CES2CES1KEAP1TSHR
SCHEMBL6021351 0.81 TSHR (0.41) ALOX5CES2CES1KEAP1TSHR
SCHEMBL13447237 0.81 ALOX5 (0.44) ALOX5CES2CES1KEAP1TSHR
SCHEMBL6021627 0.81 ALDH1A1 (0.41) ALOX5CES2CES1KEAP1TSHR
SCHEMBL24162104 0.81 ALOX5 (0.44) ALOX5CES2CES1KEAP1TSHR
SCHEMBL6021654 0.78 HPGD (0.43) ALOX5CES2CES1KEAP1TSHR
Hydrochloric Acid SCHEMBL6382476 0.77 HPGD (0.43) ALOX5CES2CES1KEAP1TSHR
SCHEMBL22815357 0.77 ALOX5 (0.46) ALOX5CES2CES1KEAP1TSHR
SCHEMBL11666936 0.77 ALOX5 (0.46) ALOX5CES2CES1KEAP1TSHR

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
EP-3225627-B1 TRIPEPTIDE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF UNIV NORTHWEST (CN) 2021-11-03 EP disclosed
EP-3225627-A1 TRIPEPTIDE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Northwest University (CN) 2017-10-04 EP disclosed
US-20170267718-A1 TRIPEPTIDE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF NORTHWEST UNIVERSITY (CN) 2017-09-21 US disclosed
EP-2125772-A1 A PROCESS FOR THE PREPARATION OF DULOXETIN AND NEW KEY INTERMEDIATES FOR USE THEREIN Richter Gedeon NYRT (HU) 2009-12-02 EP disclosed
WO-2008078124-A1 A PROCESS FOR THE PREPARATION OF DULOXETIN AND NEW KEY INTERMEDIATES FOR USE THEREIN RICHTER GEDEON NYRT. (HU) 2008-07-03 WO disclosed
EP-1664014-A2 PROCESS FOR THE ASYMMETRIC HYDROGENATION OF BETA-AMINO KETONES LONZA AG (CH) 2006-06-07 EP disclosed
WO-2005021527-A2 PROCESS FOR THE ASYMMETRIC HYDROGENATION OF BETA-AMINO KETONES LONZA AG (CH) 2005-03-10 WO 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-20170267718-A1 TRIPEPTIDE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF VIP, PREP, ACE ALOX5 1528/4885CES2 3420/4885CES1 504/4885

“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.