SCHEMBL4184057

SCHEMBL4184057

CCCCSNC(=O)SSC(=O)NSCCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 2/20 0.36
CES1 P23141 5/20 0.35
CES2 O00748 5/20 0.33
GMNN O75496 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
CYP2C9 P11712 1/20 0.33
BLM P54132 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.33
EPHX1 P07099 4/20 0.32
FDPS P14324 2/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
ALOX15 P16050 1/20 0.31
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL11354924 0.85 CES2 (0.38) ALDH1A1TP53CES1CES2GMNN
SCHEMBL4630334 0.81 EPHX1 (0.39) ALDH1A1NPSR1TP53CES1CES2
SCHEMBL8207874 0.79
SCHEMBL11488088 0.79
SCHEMBL946019 0.77
SCHEMBL11862243 0.77 MEN1 (0.39) ALDH1A1NPSR1TP53CES1CES2
SCHEMBL11149120 0.76 EPHX1 (0.35) ALDH1A1NPSR1TP53CES1CES2
SCHEMBL11293412 0.76 CES2 (0.45) ALDH1A1TP53CES1CES2GMNN
SCHEMBL11722997 0.76 CES1 (0.38) ALDH1A1NPSR1TP53CES1CES2
SCHEMBL28509051 0.76 CASP2 (0.45) ALDH1A1NPSR1TP53CES1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209480-A1 CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2009-08-20 US disclosed
EP-0928340-A1 INVASION-INDUCING AGENTS AND INVASION-INHIBITORS FOR USE IN WOUND HEALING AND CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1999-07-14 EP disclosed
WO-1998022617-A1 INVASION-INDUCING AGENTS AND INVASION-INHIBITORS FOR USE IN WOUND HEALING AND CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1998-05-28 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-20090209480-A1 CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS INA, BDNF, PMP22 ALDH1A1 2618/4885NPSR1 370/4885TP53 4318/4885

“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.