SCHEMBL10138249

SCHEMBL10138249

CC(=O)c1ccc2cncc(OS(=O)(=O)C(F)(F)F)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
CDK8 P49336 1/20 0.38
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
SLC22A12 Q96S37 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CYP17A1 P05093 2/20 0.33
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
CA2 P00918 1/20 0.33
CYP2A6 P11509 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
STS P08842 1/20 0.33
DYRK1A Q13627 1/20 0.32
MEN1 O00255 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
SCHEMBL4731824 0.90 SLC22A12 (0.43) HSD11B1SLC22A12CA2SMN1; SMN2KDM4E
SCHEMBL4893119 0.88 NOTUM (0.41) MAPTALDH1A1CYP3A4CYP11B1CYP11B2
SCHEMBL578536 0.81 ALDH1A1 (0.36) HSD11B1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL15178014 0.81 ALDH1A1 (0.35) ALDH1A1HPGDSLC22A12KDM4E
SCHEMBL31165760 0.76 ICAM1 (0.52) CDK8MAPTICAM1SELESMN1; SMN2
SCHEMBL18453430 0.76 HSD11B1 (0.56) HSD11B1MAPTALDH1A1HPGDCYP1A2
SCHEMBL4853499 0.75 SLC2A1 (0.42) HSD11B1ALDH1A1SLC22A12SMN1; SMN2KDM4E
SCHEMBL4656873 0.75 PDE10A (0.40)
SCHEMBL1473470 0.74 HSD11B1 (0.40) HSD11B1MAPTALDH1A1CYP2A6STS
SCHEMBL21315044 0.74 CA1 (0.32) CA2

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-8410273-B2 Cyclic compound having substituted phenyl group DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-02 US disclosed
US-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20110269746-A1 CYCLIC COMPOUND HAVING HETERO ATOM DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-03 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 (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-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP BMP2, BMP4, BMP6 HSD11B1 840/4885CDK8 2959/4885MAPT 4571/4885
US-20110269746-A1 CYCLIC COMPOUND HAVING HETERO ATOM BMP2, BMP4, BMP1 HSD11B1 469/4885CDK8 1711/4885MAPT 4445/4885

“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.