SCHEMBL3674814

SCHEMBL3674814

O=Cc1ccccc1Sc1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 1/20 0.45
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TYMS P04818 2/20 0.39
HAO1 Q9UJM8 1/20 0.39
MAP2K2 P36507 1/20 0.39
MAP2K1 Q02750 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
EGFR P00533 1/20 0.38
PDGFRB P09619 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
G6PD P11413 1/20 0.38
CCR6 P51684 1/20 0.38
HKDC1 Q2TB90 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
SCHEMBL31241186 1.00 PTGER3 (0.45) PTGER3LMNAMEN1KMT2ATHRB
SCHEMBL3684095 0.82 PTGER3 (0.43) PTGER3LMNAMEN1KMT2ATDP1
SCHEMBL30548745 0.80 MAP2K2 (0.48) LMNATDP1TYMSHAO1MAP2K2
SCHEMBL193869 0.79 KMT2A (0.50) LMNAMEN1KMT2ATHRBBLM
SCHEMBL7188592 0.78 ALDH1A1 (0.45) LMNAMEN1KMT2ATHRBBLM
SCHEMBL7931764 0.78 PTGER3 (0.57) PTGER3LMNASMN1; SMN2HDAC1HDAC8
SCHEMBL7822972 0.78 PTGER3 (0.57) PTGER3LMNASMN1; SMN2HDAC1HDAC8
SCHEMBL6926885 0.78 PDE7A (0.48) LMNAMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL2271692 0.76 HDAC1 (0.57) LMNAMEN1KMT2ATHRBBLM
SCHEMBL1466237 0.76 MEN1 (0.43) LMNAMEN1KMT2ATHRBBLM

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-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
US-6242493-B1 PROSTAGLANDIN INHIBITORS; ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA & CO. (CA) 2001-06-05 US disclosed
EP-1071648-A2 CARBOXYLIC ACIDS AND ACYLSULFONAMIDES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck Frosst Canada & Co. (CA) 2001-01-31 EP disclosed
WO-1999047497-A2 CARBOXYLIC ACIDS AND ACYLSULFONAMIDES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK FROSST CANADA & CO. (CA) 1999-09-23 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 (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 3717/4885LMNA 4771/4885MEN1 1010/4885
US-20100113722-A1 SULFUR CHELATED RUTHENIUM COMPOUNDS USEFUL AS OLEFIN METATHESIS CATALYSTS C1S, SCO2, AP1S1 PTGER3 3717/4885LMNA 4771/4885MEN1 1010/4885

“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.