SCHEMBL2964786

SCHEMBL2964786

Cc1ccc(S(=O)(=O)N2CCN(C3CCCC3)CC2)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 2/20 0.49
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 2/20 0.47
HTT P42858 2/20 0.46
HSD17B10 Q99714 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.44
LMNA P02545 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL2960616 0.81 MEN1 (0.67) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL2954371 0.80 KMT2A (0.59) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL2962444 0.79 KMT2A (0.72) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL4265032 0.77 CNR1 (0.62) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL2962880 0.76 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AMAPK1
SCHEMBL2646337 0.76 NPC1 (0.68) ALDH1A1KMT2APOLBKDM4EGAA
SCHEMBL2961227 0.76 ALDH1A1 (0.53) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL27249881 0.76 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL2956566 0.75 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL29336544 0.74 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AKDM4EGAA

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 ALDH1A1 82/4885MEN1 2689/4885KMT2A 3335/4885

“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.