SCHEMBL3689758

SCHEMBL3689758

CC(C)(C)Sc1ccccc1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
THRB P10828 1/20 0.48
BLM P54132 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 5/20 0.45
TSHR P16473 1/20 0.45
TRIM24 O15164 2/20 0.40
TRIM33 Q9UPN9 2/20 0.40
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ERN1 O75460 4/20 0.33
NPSR1 Q6W5P4 1/20 0.33
IMPDH2 P12268 1/20 0.32

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
SCHEMBL6934720 0.82 AOC3 (0.37) KMT2AMEN1TDP1ALDH1A1TSHR
SCHEMBL3680883 0.79 ALDH1A1 (0.45) ALDH1A1TSHR
SCHEMBL1442135 0.79 LMNA (0.48) LMNAKMT2AMEN1THRBBLM
SCHEMBL15310956 0.77 MEN1 (0.42) LMNAKMT2AMEN1THRBBLM
SCHEMBL9952352 0.77 MEN1 (0.38) KMT2AMEN1TDP1ALDH1A1L3MBTL1
SCHEMBL14198053 0.76
SCHEMBL173014 0.76 LMNA (0.55) LMNAKMT2AMEN1THRBBLM
SCHEMBL29517618 0.76 LMNA (0.55) LMNAKMT2AMEN1THRBBLM
SCHEMBL3196146 0.75 KMT2A (0.60) LMNAKMT2AMEN1THRBBLM
SCHEMBL16309626 0.75

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0702008-B1 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS (JP) 2001-08-29 EP claimed
EP-0702008-A2 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-03-20 EP claimed
US-5169961-A Process for the production of 2-acetylbenzo [β]thiophenes ABBOTT LABORATORIES (US) 1992-12-08 US claimed
JP-6087853-A None JP disclosed
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-20090156766-A1 Sulfur chelated ruthenium compounds useful as olefin metathesis catalysts BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2009-06-18 US disclosed
US-20090093464-A1 Naphthalene Derivatives as Modulators of the Glucocorticoid Receptor SMITHKLINE BEECHMA CORPORATION (US) 2009-04-09 US disclosed
US-20080242666-A1 1-6-Substituted (3R,6R)-3-(2,3-Dihydro-1H-Inden-2-Yl)-2,5-Piperazinedione Derivatives as Oxytocin Receptor Antagonists For the Treatment of Preterm Labour, Dysmenorrhea and Endometriosis GLAXO GROUP LIMITED (GB) 2008-10-02 US disclosed
EP-1289954-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096303-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
EP-0702008-B1 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS (JP) 2001-08-29 EP disclosed
EP-1081141-A1 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2001-03-07 EP disclosed
US-5773626-A HALOGENATION OF A 2-(ALKYLTHIO)BENZALDEHYDE OXIME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1998-06-30 US disclosed
US-5633384-A FROM O-ALKYLTHIOBENZONITRILES SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-05-27 US disclosed
EP-0702008-A2 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-03-20 EP disclosed
JP-H0687853-A PRODUCTION OF 2-ACETYLBENZO(B)THIOPHENE IHARA CHEM IND CO LTD 1994-03-29 JP disclosed
US-5169961-A Process for the production of 2-acetylbenzo [β]thiophenes ABBOTT LABORATORIES (US) 1992-12-08 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 (5 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-20090156766-A1 Sulfur chelated ruthenium compounds useful as olefin metathesis catalysts TST, MPST, NISCH LMNA 4870/4885KMT2A 4178/4885MEN1 2846/4885
US-20080242666-A1 1-6-Substituted (3R,6R)-3-(2,3-Dihydro-1H-Inden-2-Yl)-2,5-Piperazinedione Derivatives as Oxytocin Receptor Antagonists For the Treatment of Preterm Labour, Dysmenorrhea and Endometriosis OXTR, OPRL1, GPER1 LMNA 1967/4885KMT2A 3118/4885MEN1 4640/4885
US-20140155511-A1 SULFUR CHELATED RUTHENIUM COMPOUNDS USEFUL AS OLEFIN METATHESIS CATALYSTS C1S, SCO2, AP1S1 LMNA 4771/4885KMT2A 3469/4885MEN1 1010/4885
US-20090093464-A1 Naphthalene Derivatives as Modulators of the Glucocorticoid Receptor NR3C1, NR3C2, NR5A1 LMNA 2565/4885KMT2A 4678/4885MEN1 1753/4885
US-20100113722-A1 SULFUR CHELATED RUTHENIUM COMPOUNDS USEFUL AS OLEFIN METATHESIS CATALYSTS C1S, SCO2, AP1S1 LMNA 4771/4885KMT2A 3469/4885MEN1 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.