SCHEMBL2959791

SCHEMBL2959791

CC1(N2CCN(S(=O)(=O)c3ccc(OC(F)F)cc3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 4/20 0.51
▸ PKLR P30613 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.50
▸ LMNA P02545 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ KDM2B Q8NHM5 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ HTT P42858 2/20 0.44
▸ DHCR7 Q9UBM7 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL2963584 0.88 DHCR7 (0.55) PKMPKLRNPC1RAB9ALMNA
SCHEMBL2959213 0.85 KDM2B (0.49) PKMPKLRALDH1A1LMNAKDM2B
SCHEMBL6886969 0.80 USP2 (0.65) PKMPKLRNPC1RAB9AALDH1A1
SCHEMBL17101988 0.80 ALDH1A1 (0.51) PKMPKLRNPC1RAB9AALDH1A1
SCHEMBL22032773 0.79 KMT2A (0.59) PKMPKLRNPC1RAB9AALDH1A1
SCHEMBL25365470 0.77 ALDH1A1 (0.49) PKMPKLRNPC1RAB9AALDH1A1
SCHEMBL17102117 0.77 ALDH1A1 (0.49) PKMPKLRNPC1RAB9AALDH1A1
SCHEMBL17100765 0.77 MAPT (0.58) PKMPKLRNPC1RAB9AALDH1A1
SCHEMBL17101929 0.77 PKM (0.57) PKMPKLRNPC1RAB9AALDH1A1
SCHEMBL17102007 0.77 PKM (0.57) PKMPKLRNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PKM 1338/4885PKLR 1967/4885NPC1 762/4885

“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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