SCHEMBL541568

SCHEMBL541568

O=C(c1cnc(Cl)nc1C(F)(F)F)N1CCS(=O)(=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.48
NFKB1 P19838 12/20 0.47
ATF1 P18846 11/20 0.47
XPO1 O14980 4/20 0.46
JUN P05412 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
ALOX5AP P20292 2/20 0.41
FEN1 P39748 2/20 0.41
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
SPR P35270 1/20 0.39

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
SCHEMBL76465 0.86 SCD (0.51) SCDNFKB1ATF1XPO1JUN
SCHEMBL541592 0.83 NFKB1 (0.52) SCDNFKB1ATF1XPO1JUN
SCHEMBL541570 0.79 SYK (0.43) SCDALOX5APFEN1
SCHEMBL12796211 0.77 CNR2 (0.59)
SCHEMBL541310 0.77 CNR2 (0.43) NFKB1ATF1ALOX5APFEN1
SCHEMBL12796596 0.76 CXCR4 (0.41) SCDNFKB1JUNNFKB2RELA
SCHEMBL12796600 0.76 CXCR4 (0.41) SCDNFKB1JUNNFKB2RELA
SCHEMBL541983 0.76 CXCR4 (0.39) SCDNFKB1ATF1JUNNFKB2
SCHEMBL542021 0.75 CXCR4 (0.38) SCDNFKB1JUNNFKB2RELA
SCHEMBL6521507 0.75 HDAC3 (0.41) SCDNFKB1JUNNFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130310373-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-21 US disclosed
US-20130310373-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-21 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
CN-102378757-A Pyrimidine compounds ASTELLAS PHARMA INC 2012-03-14 CN disclosed
EP-2415765-A1 PYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-08 EP disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
WO-2010113834-A1 PYRIMIDINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-07 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-20110053912-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 SCD 1093/4885NFKB1 2708/4885ATF1 1914/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 SCD 1251/4885NFKB1 2619/4885ATF1 2281/4885

“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.