SCHEMBL996488

SCHEMBL996488

Cc1cc(C)c(C)c(C)c1C.O=S(=O)(Cl)Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
CYP19A1 P11511 1/20 0.34
KDM4E B2RXH2 3/20 0.33
RAPGEF4 Q8WZA2 2/20 0.33
HPGD P15428 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FABP4 P15090 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL2343471 0.84 RAPGEF4 (0.42) KMT2AMEN1LMNAGAAMAPK1
SCHEMBL120101 0.80 TSHR (0.39) KMT2AMEN1MAPK1RAPGEF4CYP3A4
SCHEMBL27388788 0.80 CA1 (0.48) KMT2AMEN1LMNAGAAKDM4E
SCHEMBL7313649 0.79 RAPGEF4 (0.38) KMT2AMEN1LMNAGAAMAPK1
SCHEMBL7526380 0.79 TRPV4 (0.34) RAPGEF4TSHRALDH1A1
SCHEMBL1021882 0.78 KMT2A (0.44) KMT2AMEN1LMNAGAAMAPK1
Formaldehyde SCHEMBL27539276 0.78 MAPK1 (0.33) KMT2AMEN1LMNAGAAMAPK1
SCHEMBL3261763 0.78 ALDH1A1 (0.64) KMT2AMEN1GAAHTTKDM4E
SCHEMBL10346431 0.77 CYP3A4 (0.37) KMT2AMEN1MAPK1CYP3A4TDP1
SCHEMBL10411849 0.77 CYP3A4 (0.37) KMT2AMEN1MAPK1CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456435-B1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE UNIV LELAND STANFORD JUNIOR (US) 2015-06-24 EP disclosed
CN-103596925-A Benzocycloheptene acetic acids HOFFMANN LA ROCHE 2014-02-19 CN disclosed
US-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE AUCKLAND UNIVSERVICES LIMITED (NZ) 2012-09-06 US disclosed
EP-2456435-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE The Board of Trustees of The Leland Stanford Junior University (US) 2012-05-30 EP disclosed
EP-1813987-B1 SULFONIC-ESTER-CONTAINING COMPOSITION FOR FORMATION OF ANTIREFLECTION FILM FOR LITHOGRAPHY NISSAN CHEMICAL IND LTD (JP) 2011-08-24 EP disclosed
WO-2011011514-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-01-27 WO disclosed
US-7595144-B2 Sulfonate-containing anti-reflective coating forming composition for lithography NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-09-29 US disclosed
CN-101511783-A N-biaryl (hetero) arylsulphonamide derivatives useful in the treatment of diseases mediated by lymphocytes interactions NOVARTIS AG (CH) 2009-08-19 CN disclosed
US-20080003524-A1 Sulfonate-Containing Anti-Reflective Coating Forming Composition for Lithography NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 US disclosed
EP-1813987-A1 SULFONIC-ESTER-CONTAINING COMPOSITION FOR FORMATION OF ANTIREFLECTION FILM FOR LITHOGRAPHY Nissan Chemical Industries, Ltd. (JP) 2007-08-01 EP disclosed
CN-1012367-B CONVERSION OF URACIL DERIVATIVES TO CYTOSINE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1991-04-17 CN disclosed
EP-0204264-B1 CONVERSION OF URACIL DERIVATIVES TO CYTOSINE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 1990-08-16 EP disclosed
CN-1031529-A Pharmaceutical composition ICI PLC (GB) 1989-03-08 CN disclosed
US-4754026-A Conversion of uracil derivatives to cytosine derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-06-28 US disclosed
EP-0204264-A2 Conversion of uracil derivatives to cytosine derivatives Takeda Chemical Industries, Ltd. (JP) 1986-12-10 EP disclosed
CN-86103615-A Uracil derivative changes into the method for cytosine derivative 1986-12-03 CN 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-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE BRDT, NISCH, PAICS KMT2A 502/4885MEN1 2511/4885LMNA 575/4885

“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.