SCHEMBL10090168

SCHEMBL10090168

COCCOc1nc2ccccc2s1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.64
PTGS2 P35354 6/20 0.64
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PPARG P37231 3/20 0.49
PPARA Q07869 3/20 0.49
TSHR P16473 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
LTA4H P09960 4/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL10158221 0.85 PTGS1 (0.61) PTGS1PTGS2MEN1KMT2APPARG
SCHEMBL12110104 0.84 PTGS1 (0.65) PTGS1PTGS2MEN1KMT2APPARG
SCHEMBL9167195 0.83 PTGS1 (0.64) PTGS1PTGS2MEN1KMT2APPARG
SCHEMBL28282484 0.82 PTGS1 (0.58) PTGS1PTGS2MEN1KMT2APPARG
SCHEMBL14467536 0.81 PTGS1 (0.61) PTGS1PTGS2MEN1KMT2APPARG
SCHEMBL6101474 0.81 PTGS1 (0.66) PTGS1PTGS2MEN1KMT2APPARG
SCHEMBL10090420 0.81 PTGS1 (0.61) PTGS1PTGS2MEN1KMT2APPARG
SCHEMBL72049 0.81 PTGS1 (0.61) PTGS1PTGS2MEN1KMT2APPARG
SCHEMBL10729452 0.81 PTGS1 (0.61) PTGS1PTGS2MEN1KMT2APPARG
SCHEMBL6842459 0.81 PTGS1 (0.58) PTGS1PTGS2MEN1KMT2APPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252841-B2 Methods of inhibiting bacterial virulence and compounds relating thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-08-28 US disclosed
US-8252841-B2 Methods of inhibiting bacterial virulence and compounds relating thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-08-28 US disclosed
US-8148541-B2 Rhodanine derivatives, a process for the preparation thereof and pharmaceutical composition containing the same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2012-04-03 US disclosed
US-20100048573-A1 Methods of Inhibiting Bacterial Virulence and Compounds Relating Thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2010-02-25 US disclosed
US-20100048573-A1 Methods of Inhibiting Bacterial Virulence and Compounds Relating Thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2010-02-25 US disclosed
US-20090042872-A1 Rhodanine Derivatives, a Process for the Preparation Thereof and Pharmaceutical Composition Containing the Same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-02-12 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-20090042872-A1 Rhodanine Derivatives, a Process for the Preparation Thereof and Pharmaceutical Composition Containing the Same PTPRR, PTPRG, PTPRS PTGS1 3435/4885PTGS2 4060/4885MEN1 4202/4885
US-20100048573-A1 Methods of Inhibiting Bacterial Virulence and Compounds Relating Thereto MMP8, SLC11A2, NFKBIA PTGS1 42/4885PTGS2 156/4885MEN1 3468/4885

“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.