SCHEMBL2963649

SCHEMBL2963649

O=S(=O)(c1ccc(F)cc1Cl)N1CCN(c2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.63
▸ HPGD P15428 1/20 0.63
▸ LMNA P02545 5/20 0.54
▸ MAPT P10636 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ TSHR P16473 2/20 0.53
▸ HTT P42858 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ POLB P06746 3/20 0.50
▸ TRPV4 Q9HBA0 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MCL1 Q07820 1/20 0.49

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
SCHEMBL2959767 0.86 TRPV4 (0.67) ALDH1A1HPGDLMNAMAPTMEN1
SCHEMBL2962710 0.84 POLB (0.67) ALDH1A1HPGDLMNAMAPTMEN1
SCHEMBL2962429 0.82 MEN1 (0.62) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL3324771 0.80 CNR1 (0.54) ALDH1A1MAPTKMT2ATSHR
SCHEMBL2963614 0.79 CHRM1 (0.58) ALDH1A1HPGDLMNAMAPTMEN1
SCHEMBL14919605 0.78 POLB (0.63) ALDH1A1HPGDLMNAMAPTMEN1
SCHEMBL2959409 0.78 KMT2A (0.65) ALDH1A1HPGDLMNAMAPTMEN1
SCHEMBL19348509 0.78 KMT2A (0.53) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL2998650 0.77 SMN1; SMN2 (0.66) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL2960625 0.75 TSHR (0.65) ALDH1A1HPGDLMNAMAPTMEN1

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 36/4885LMNA 2965/4885

“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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