Sugi Predict

Sugi Predict / Compounds / SCHEMBL541310

SCHEMBL541310

SCHEMBL541310

O=C(c1cnc(Cc2cccc(Cl)c2)nc1C(F)(F)F)N1CCS(=O)(=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 9/20 0.43
▸ HTR2C P28335 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ TSHR P16473 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYP1A2 P05177 4/20 0.38
▸ CYP2C9 P11712 4/20 0.38
▸ CYP2C19 P33261 4/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ CYP2D6 P10635 2/20 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
SCHEMBL12796211 0.79 CNR2 (0.59) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL541568 0.77 SCD (0.48) ALOX5APFEN1ATF1NFKB1
SCHEMBL13069946 0.69 CNR2 (0.56) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL3382420 0.69 CNR2 (0.60) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL3380758 0.68 CNR2 (0.64) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL14051282 0.68 CNR2 (0.51) CNR2KDM4EALDH1A1HPGDMAPK1
SCHEMBL541570 0.68 SYK (0.43) ALOX5APFEN1
SCHEMBL541905 0.67 LMNA (0.45) CNR2KDM4EALDH1A1HPGDTSHR
SCHEMBL3378797 0.67 CNR2 (0.65) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL3381032 0.67 CNR2 (0.65) CNR2CYP1A2CYP2C9CYP2C19CYP3A4

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 8 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
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
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 CNR2 1/4885HTR2C 42/4885HTR2B 129/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 CNR2 1/4885HTR2C 39/4885HTR2B 100/4885

“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.