SCHEMBL2962440

SCHEMBL2962440

O=S(=O)(c1ccccn1)N1CCN(c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
GAA P10253 1/20 0.59
POLB P06746 2/20 0.57
THRB P10828 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.55
HPGD P15428 1/20 0.54
PKM P14618 2/20 0.53
PKLR P30613 1/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HTT P42858 3/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TNF P01375 1/20 0.48

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
SCHEMBL12089182 0.83 GCK (0.49) ALDH1A1GAAPKMPKLRMEN1
SCHEMBL1847833 0.82 PKM (0.56) ALDH1A1GAASMN1; SMN2PKMPKLR
SCHEMBL15734 0.81 GCK (0.69) ALDH1A1GAAPKMPKLRHTT
SCHEMBL4708071 0.81 PKM (0.59) ALDH1A1GAAPOLBSMN1; SMN2PKM
SCHEMBL6616459 0.80 TSHR (0.56) ALDH1A1GAASMN1; SMN2PKMPKLR
SCHEMBL12655896 0.78 PKM (0.52) ALDH1A1POLBSMN1; SMN2PKMPKLR
SCHEMBL616835 0.76 ALDH1A1 (0.78) ALDH1A1GAAPOLBTHRBSMN1; SMN2
SCHEMBL24712032 0.75 PKM (0.50) GAASMN1; SMN2PKMPKLRLMNA
SCHEMBL3921892 0.75 KDM4E (0.58) ALDH1A1GAAPOLBSMN1; SMN2PKM
SCHEMBL2961832 0.75 ALDH1A1 (1.00) ALDH1A1GAAPOLBSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 82/4885GAA 455/4885POLB 503/4885

“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.