SCHEMBL3638446

SCHEMBL3638446

CC1(C)OB(c2ccc(Cl)c(NS(=O)(=O)c3ccccc3)c2)OC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 3/20 0.45
ALOX15 P16050 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
KDM4E B2RXH2 2/20 0.43
CA12 O43570 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43

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
SCHEMBL2074312 0.90 CRHBP (0.53) HSD17B10MEN1KMT2AGAAALOX15
SCHEMBL3115744 0.82 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29555684 0.82 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2073052 0.81 LPL (0.48) GAAALDH1A1CA1CA2CA9
SCHEMBL1331630 0.79 CA1 (0.64) HSD17B10MEN1KMT2AALDH1A1HPGD
SCHEMBL9955288 0.78 PIK3CG (0.52) ALDH1A1TSHRSLC40A1PIK3CDPIK3CA
SCHEMBL11894843 0.78 HTR6 (0.51) MEN1KMT2AGAAALDH1A1HPGD
SCHEMBL4454510 0.78 MAPT (0.49) HSD17B10MEN1KMT2AALDH1A1CA1
SCHEMBL16840 0.76 LIPG (0.46) CA1CA2CA9CA12CA3
SCHEMBL21630384 0.76 HPGD (0.46) HSD17B10MEN1KMT2AGAAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263585-B2 Organic compounds NOVARTIS AG (CH) 2012-09-11 US disclosed
EP-2173722-B1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2012-08-29 EP disclosed
EP-2173722-A2 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS Novartis Ag (CH) 2010-04-14 EP disclosed
US-20090163463-A1 Organic Compounds NOVARTIS AG 2009-06-25 US disclosed
WO-2009013348-A2 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2009-01-29 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 (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-20090163463-A1 Organic Compounds PIK3C3, PIK3CA, MTOR HSD17B10 927/4885MEN1 1530/4885KMT2A 3412/4885

“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.