SCHEMBL2957553

SCHEMBL2957553

O=Cc1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.53
MAPT P10636 3/20 0.50
GAA P10253 2/20 0.50
ALDH1A1 P00352 4/20 0.49
TRIM24 O15164 1/20 0.49
TRIM33 Q9UPN9 1/20 0.49
TP53 P04637 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GBA1 P04062 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
SCHEMBL2953603 0.85 MAPT (0.59) CHRM4MAPTGAAALDH1A1TP53
SCHEMBL2962429 0.85 MEN1 (0.62) CHRM4GAAALDH1A1MEN1KMT2A
SCHEMBL5245861 0.85 CHRM4 (0.52) CHRM4MAPTGAAALDH1A1TP53
SCHEMBL2954396 0.83 MAPT (0.57) CHRM4MAPTGAAALDH1A1TP53
SCHEMBL10723724 0.80 CHRM4 (0.64) CHRM4MAPTALDH1A1MEN1KMT2A
SCHEMBL2956043 0.78 MAPT (0.61) CHRM4MAPTGAAALDH1A1TP53
SCHEMBL2959785 0.78 KMT2A (0.62) CHRM4MAPTGAAALDH1A1MEN1
SCHEMBL12089425 0.78 GCK (0.57) CHRM4MAPTTP53MEN1KMT2A
SCHEMBL2961026 0.77 CHRM4 (0.62) CHRM4MAPTALDH1A1TP53KMT2A
SCHEMBL2962776 0.77 KMT2A (0.64) CHRM4MAPTGAAALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US claimed
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 CHRM4 4346/4885MAPT 3168/4885GAA 455/4885

“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.