SCHEMBL2953334

SCHEMBL2953334

O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.56
▸ HPGD P15428 1/20 0.56
▸ HTT P42858 3/20 0.56
▸ CNR1 P21554 1/20 0.54
▸ PKM P14618 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ GAA P10253 1/20 0.51

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
SCHEMBL2957547 0.90 HTT (0.56) ALDH1A1HPGDHTTPKMLMNA
SCHEMBL28919039 0.85 CNR1 (0.53) ALDH1A1CNR1LMNAPOLBTHRB
SCHEMBL2962429 0.83 MEN1 (0.62) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL2960625 0.83 TSHR (0.65) ALDH1A1HPGDLMNAPOLBKDM4E
SCHEMBL2954368 0.80 MEN1 (0.56) ALDH1A1HPGDPKMPOLBKDM4E
SCHEMBL2963614 0.80 CHRM1 (0.58) ALDH1A1HPGDHTTLMNAPOLB
SCHEMBL20883035 0.80 ALDH1A1 (0.65) ALDH1A1HPGDHTTPKMLMNA
SCHEMBL616835 0.79 ALDH1A1 (0.78) ALDH1A1HPGDHTTPKMLMNA
SCHEMBL2963235 0.79 ALDH1A1 (0.72) ALDH1A1HPGDPKMLMNATHRB
SCHEMBL2960456 0.78 MEN1 (0.68) ALDH1A1HPGDHTTPKMLMNA

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 82/4885HPGD 36/4885HTT 3019/4885

“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.

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