SCHEMBL2963584

SCHEMBL2963584

CC(C)Oc1ccc(S(=O)(=O)N2CCN(C3(C)CC3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DHCR7 Q9UBM7 1/20 0.55
▸ NPC1 O15118 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ PKLR P30613 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ PTGDR Q13258 14/20 0.48
▸ PTGDR2 Q9Y5Y4 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HTT P42858 1/20 0.46

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
SCHEMBL2959791 0.88 PKM (0.51) DHCR7NPC1PKMPKLRRAB9A
SCHEMBL12209246 0.82 HTT (0.66) DHCR7NPC1PKMPKLRRAB9A
SCHEMBL16788114 0.81 HTT (0.69) DHCR7NPC1PKMPKLRRAB9A
SCHEMBL1096258 0.78 DHCR7 (0.59) DHCR7NPC1PKMPKLRRAB9A
SCHEMBL19348522 0.78 DHCR7 (0.59) DHCR7NPC1PKMPKLRRAB9A
SCHEMBL29483645 0.78 LMNA (0.69) DHCR7LMNATSHRSMN1; SMN2HTT
SCHEMBL1106916 0.76 DHCR7 (0.67) DHCR7NPC1PKMPKLRRAB9A
SCHEMBL13949594 0.76 DHCR7 (0.47) DHCR7NPC1PKMPKLRRAB9A
SCHEMBL2957007 0.74 GAA (0.56) NPC1PKMPKLRRAB9ATSHR
SCHEMBL16080227 0.74 DHCR7 (0.60) DHCR7PTGDR2

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 DHCR7 17/4885NPC1 762/4885PKM 1338/4885

“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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