SCHEMBL2950538

SCHEMBL2950538

O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 16/20 1.00
LMNA P02545 2/20 1.00
PKLR P30613 8/20 0.80
HTT P42858 3/20 0.77
ALDH1A1 P00352 1/20 0.77
NPC1 O15118 1/20 0.76
RAB9A P51151 1/20 0.76
KMT2A Q03164 3/20 0.72
MEN1 O00255 2/20 0.72
MAPT P10636 2/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
USP2 O75604 1/20 0.61

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
SCHEMBL1725568 0.89 PKM (1.00) PKMLMNAPKLRHTTALDH1A1
SCHEMBL1722758 0.87 PKM (1.00) PKMLMNAPKLRHTTALDH1A1
SCHEMBL2953627 0.83 L3MBTL1 (0.71) PKMLMNAPKLRHTTALDH1A1
SCHEMBL29483533 0.83 PKM (0.84) PKMLMNAPKLRHTTALDH1A1
SCHEMBL12793256 0.80 TP53 (0.73) PKMLMNAALDH1A1NPC1KMT2A
SCHEMBL4461762 0.80 CNR1 (0.76) PKMLMNAPKLRHTTALDH1A1
SCHEMBL1710921 0.79 PKM (0.73) PKMLMNAPKLRHTTALDH1A1
SCHEMBL1722816 0.79 PKM (1.00) PKMLMNAPKLRHTTNPC1
SCHEMBL1710857 0.79 PKM (1.00) PKMLMNAPKLRHTTALDH1A1
SCHEMBL1726834 0.79 PKM (1.00) PKMLMNAPKLRHTTALDH1A1

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 PKM 1338/4885LMNA 2965/4885PKLR 1967/4885

“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.