SCHEMBL2959210

SCHEMBL2959210

COc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(OC)c1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
PKM P14618 1/20 0.66
MAPT P10636 5/20 0.63
TP53 P04637 2/20 0.63
RECQL P46063 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
KMT2A Q03164 2/20 0.61
MAPK1 P28482 1/20 0.61
LMNA P02545 3/20 0.58
POLB P06746 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
USP2 O75604 1/20 0.58
HTT P42858 1/20 0.58
KDM4E B2RXH2 1/20 0.57
TSHR P16473 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL31212423 0.80 MAPT (0.63) ALDH1A1PKMMAPTTP53KMT2A
SCHEMBL2952941 0.80 PKM (1.00) ALDH1A1PKMMAPTTP53KMT2A
SCHEMBL2956828 0.79 PKM (0.73) ALDH1A1PKMMAPTKMT2AMAPK1
SCHEMBL16814147 0.79 MAPT (0.51) ALDH1A1PKMMAPTNPSR1KMT2A
SCHEMBL11508985 0.79 KMT2A (0.80) ALDH1A1PKMMAPTRECQLKMT2A
SCHEMBL3019064 0.79 MAPT (0.61) ALDH1A1MAPTTP53RECQLKMT2A
SCHEMBL31212437 0.78 CCR3 (0.59) ALDH1A1MAPTKMT2AMAPK1POLB
SCHEMBL11508483 0.77 PKM (0.60) PKMMAPTTP53KMT2ALMNA
SCHEMBL7656637 0.77 KMT2A (0.73) ALDH1A1MAPTRECQLNPSR1KMT2A
SCHEMBL3015761 0.76 ALDH1A1 (0.47) ALDH1A1MAPTTP53RECQLKMT2A

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 ALDH1A1 82/4885PKM 1338/4885MAPT 3168/4885

“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.