SCHEMBL2961967

SCHEMBL2961967

O=S(=O)(c1ccccc1Cl)N1CCN(c2ccccc2O)CC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
MAPT P10636 3/20 0.61
GFER P55789 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.59
GAA P10253 1/20 0.59
PKM P14618 1/20 0.59
MAPK1 P28482 1/20 0.59
HTT P42858 1/20 0.59
CHRM4 P08173 2/20 0.56
HSD11B1 P28845 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.49
HPGD P15428 1/20 0.49
GBA1 P04062 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.47
FAAH O00519 1/20 0.47

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
SCHEMBL2961026 0.89 CHRM4 (0.62) ALDH1A1MAPTSMN1; SMN2CHRM4HSD11B1
SCHEMBL5331434 0.84 CHRM4 (0.64) ALDH1A1MAPTSMN1; SMN2GAAPKM
SCHEMBL3223609 0.84 CHRM4 (0.57) MAPTCHRM4HSD11B1GBA1LMNA
SCHEMBL2953059 0.82 CHRM4 (0.53) ALDH1A1GAACHRM4HSD11B1GBA1
SCHEMBL3216764 0.82 ALDH1A1 (0.64) ALDH1A1MAPTSMN1; SMN2PKMMAPK1
SCHEMBL2963243 0.82 CHRM4 (0.56) ALDH1A1MAPTSMN1; SMN2CHRM4HSD11B1
SCHEMBL10723724 0.82 CHRM4 (0.64) ALDH1A1MAPTSMN1; SMN2MAPK1CHRM4
SCHEMBL2959432 0.82 CHRM4 (0.52) ALDH1A1MAPTSMN1; SMN2GAAPKM
SCHEMBL13239829 0.82 MEN1 (0.61) ALDH1A1MAPTGFERSMN1; SMN2GAA
SCHEMBL2962903 0.81 NPC1 (0.55) ALDH1A1MAPTSMN1; SMN2GAAPKM

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 8 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
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 82/4885MAPT 3168/4885GFER 1815/4885

“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.