SCHEMBL3684095

SCHEMBL3684095

C=Cc1ccccc1Sc1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 1/20 0.43
MAP2K2 P36507 2/20 0.39
MAP2K1 Q02750 2/20 0.39
HAO1 Q9UJM8 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
TYMS P04818 2/20 0.38
EGFR P00533 2/20 0.38
PDGFRB P09619 1/20 0.38
RHEB Q15382 1/20 0.37
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
PKM P14618 2/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL16709697 0.88 LMNA (0.41) PTGER3MAP2K2MAP2K1HAO1SMN1; SMN2
SCHEMBL16709659 0.83 LMNA (0.40) PTGER3MAP2K2MAP2K1HAO1SMN1; SMN2
SCHEMBL16709709 0.83 LMNA (0.40) PTGER3MAP2K2MAP2K1HAO1SMN1; SMN2
SCHEMBL3674814 0.82 PTGER3 (0.45) PTGER3MAP2K2MAP2K1HAO1SMN1; SMN2
SCHEMBL31241186 0.82 PTGER3 (0.45) PTGER3MAP2K2MAP2K1HAO1SMN1; SMN2
SCHEMBL30548745 0.80 MAP2K2 (0.48) MAP2K2MAP2K1HAO1SMN1; SMN2LMNA
SCHEMBL2575108 0.79 ALDH1A1 (0.41) SMN1; SMN2LMNAKMT2AALDH1A1KDM4E
SCHEMBL711434 0.78 ALDH1A1 (0.48) LMNAKMT2AALDH1A1MEN1TDP1
SCHEMBL16709764 0.77 LMNA (0.41) PTGER3MAP2K2MAP2K1HAO1SMN1; SMN2
SCHEMBL28853123 0.76 HDAC1 (0.54) SMN1; SMN2LMNARHEBKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718849-B2 Sulfur chelated ruthenium compounds useful as olefin metathesis catalysts BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2017-08-01 US disclosed
US-20140155511-A1 SULFUR CHELATED RUTHENIUM COMPOUNDS USEFUL AS OLEFIN METATHESIS CATALYSTS BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2014-06-05 US disclosed
US-8513151-B2 Sulfur chelated ruthenium compounds useful as olefin metathesis catalysts BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IS) 2013-08-20 US disclosed
US-20100113722-A1 SULFUR CHELATED RUTHENIUM COMPOUNDS USEFUL AS OLEFIN METATHESIS CATALYSTS BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2010-05-06 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 (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-20140155511-A1 SULFUR CHELATED RUTHENIUM COMPOUNDS USEFUL AS OLEFIN METATHESIS CATALYSTS C1S, SCO2, AP1S1 PTGER3 3717/4885MAP2K2 1921/4885MAP2K1 2039/4885
US-20100113722-A1 SULFUR CHELATED RUTHENIUM COMPOUNDS USEFUL AS OLEFIN METATHESIS CATALYSTS C1S, SCO2, AP1S1 PTGER3 3717/4885MAP2K2 1921/4885MAP2K1 2039/4885

“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.