SCHEMBL2958844

SCHEMBL2958844

Cc1nc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cn1C

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.66
HTT P42858 1/20 0.51
ALDH1A1 P00352 3/20 0.48
POLB P06746 3/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL29483656 0.79 THRB (0.55) THRBALDH1A1POLBHPGDKMT2A
SCHEMBL8263005 0.74 THRB (0.54) THRBALDH1A1MEN1KMT2ALMNA
SCHEMBL2962440 0.73 ALDH1A1 (0.59) THRBHTTALDH1A1POLBPKM
SCHEMBL12424483 0.72 THRB (0.52) THRBPOLBMEN1KMT2AGAA
SCHEMBL12384630 0.71 THRB (0.51) THRBPOLBPKMMAPTLMNA
SCHEMBL616835 0.71 ALDH1A1 (0.78) THRBHTTALDH1A1POLBPKM
SCHEMBL2959776 0.71 POLB (0.63) HTTALDH1A1POLBPKMHPGD
SCHEMBL10722295 0.71 KMT2A (0.84) HTTALDH1A1POLBPKMHPGD
SCHEMBL9736764 0.70 HTT (0.41) THRBHTTALDH1A1POLBPKM
SCHEMBL13952808 0.69 THRB (0.52) THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866298-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2007-12-19 EP claimed
WO-2006105127-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-10-05 WO claimed
US-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. 2006-10-05 US claimed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
EP-1866298-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2007-12-19 EP disclosed
WO-2006105127-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-10-05 WO disclosed
US-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. 2006-10-05 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-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors HSD17B1, HSD17B3, HSD17B2 THRB 1578/4885HTT 3019/4885ALDH1A1 82/4885

“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.