SCHEMBL1200737

SCHEMBL1200737

O=C(c1ccc(CS)cc1)c1ccc(CS)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 6/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.48
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
PKM P14618 1/20 0.48
HTT P42858 1/20 0.48
IDO1 P14902 5/20 0.46
ALDH1A1 P00352 3/20 0.46
FOLH1 Q04609 2/20 0.43
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6659142 0.91 SRD5A2 (0.65) SRD5A2ALDH1A1FOLH1
SCHEMBL4541127 0.91 ALDH1A1 (0.61) SRD5A2LMNAMAPTHPGDHTT
SCHEMBL15025047 0.91 SRD5A2 (0.41) SRD5A2LMNAMAPTHPGDESR1
SCHEMBL8091787 0.89 IDO1 (0.67) SRD5A2LMNAMAPTHPGDIDO1
SCHEMBL14234617 0.84 CES2 (0.50) IDO1FOLH1KMT2A
SCHEMBL9182557 0.84 ALDH1A1 (0.70) LMNAMAPTHPGDHTTALDH1A1
SCHEMBL21514041 0.84 ALDH1A1 (0.36) SRD5A2LMNAMAPTHPGDESR1
SCHEMBL9187486 0.84 MAPK13 (0.44) SRD5A2LMNAHPGDHTTIDO1
SCHEMBL315781 0.82 ALDH1A1 (0.60) SRD5A2MAPTALDH1A1FOLH1KMT2A
SCHEMBL9186881 0.81 ALDH1A1 (0.42) SRD5A2LMNAMAPTHPGDALDH1A1

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-20110027195-A1 COMPOSITION FOR DENTAL BARRIER COMPRISING AT LEAST ONE MONOMER, AT LEAST ONE POLYMERIZATION INITIATING SYSTEM, AND AT LEAST ONE INDICATOR ENABLING THE POLYMERIZATION REACTION TO BE MONITORED PRODUITS DENTAIRES PIERRE ROLLAND (FR) 2011-02-03 US disclosed
US-7700375-B2 Fluorescent labeling of specific protein targets in vitro and in vivo VALORISATION-RECHERCHE, LP (CA) 2010-04-20 US disclosed
US-20060147948-A1 Fluorescent labeling of specific protein targets in vitro and in vivo UNIVERSITY OF OTTAWA (CA) 2006-07-06 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-20060147948-A1 Fluorescent labeling of specific protein targets in vitro and in vivo QPCTL, MRPL21, STAMBP SRD5A2 4652/4885LMNA 1148/4885MAPT 1791/4885

“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.