SCHEMBL4117249

SCHEMBL4117249

COC(=O)CN(c1ccc(Nc2cc(-c3ccc(O)cc3)ncn2)cc1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.44
BACE1 P56817 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
MAPT P10636 2/20 0.43
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 2/20 0.43
NR1I2 O75469 1/20 0.43
ALDH1A1 P00352 5/20 0.42
TP53 P04637 2/20 0.42
GLA P06280 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL11928114 0.84 PKM (0.46) HSD17B10PKMTSHRHSP90AA1HSP90AB1
SCHEMBL4107366 0.84 USP2 (0.53) HSD17B10ALDH1A1CYP1A2CLK4USP2
SCHEMBL4098855 0.79 MAPT (0.53) BACE1MAPTALDH1A1KMT2AMEN1
SCHEMBL25482387 0.77 TP53 (0.55) HSD17B10TSHRBACE1MAPTALDH1A1
SCHEMBL4098721 0.71 NPY5R (0.57) PKMMAPTTP53KMT2AMEN1
SCHEMBL4116306 0.71 USP2 (0.55) HSD17B10ALDH1A1CYP1A2CLK4USP2
SCHEMBL14427561 0.71 MCOLN3 (0.67) HSD17B10PKMTSHRMAPTKEAP1
SCHEMBL4665747 0.71 MAPT (0.62) PKMMAPTALDH1A1TP53KMT2A
SCHEMBL5568657 0.71 NR1I2 (0.65) HSD17B10PKMTSHRKEAP1NFE2L2
SCHEMBL4664324 0.70 ABL1 (0.55) BACE1MAPTALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221581-A1 Methods of treating pain ASTRAZENECA AB (SE) 2009-09-03 US claimed
EP-1678147-B1 PHARMACEUTICALLY ACTIVE 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS MODULATORS OF PROTEIN KINASES LEAD DISCOVERY CENTER GMBH (DE) 2012-08-08 EP disclosed
US-20090221581-A1 Methods of treating pain ASTRAZENECA AB (SE) 2009-09-03 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 (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-20090221581-A1 Methods of treating pain CDK5, CAMKK2, CDK3 HSD17B10 2979/4885PKM 987/4885TSHR 4344/4885

“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.