SCHEMBL1057633

SCHEMBL1057633

Cc1cc2c(c(OCC(F)(F)F)c(C(=O)NC3CCSCC3)n2C)c(=O)n1CC(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.66
▸ LMNA P02545 1/20 0.40
▸ PDE4B Q07343 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL10314495 0.92 SMO (0.68) SMOLMNA
SCHEMBL1056908 0.89 SMO (0.64) SMOLMNAPDE4B
SCHEMBL1059600 0.88 SMO (0.84) SMOLMNAHSD17B10
SCHEMBL1060628 0.83 SMO (0.54) SMOLMNAHSD17B10
SCHEMBL10004519 0.83 SMO (0.59) SMOHSD17B10
SCHEMBL17677406 0.82 SMO (0.57) SMOLMNA
SCHEMBL1062124 0.82 SMO (0.57) SMOLMNA
SCHEMBL1061866 0.81 SMO (0.54) SMOLMNAHSD17B10
SCHEMBL10314247 0.81 SMO (0.55) SMOLMNA
SCHEMBL13708882 0.81 SMO (0.51) SMOLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247588-B1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-04-13 — — EP disclosed
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 — — US disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 — — US disclosed
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 — — US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — 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 (2 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-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 SMO 1/4885LMNA 4534/4885PDE4B 2413/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 SMO 1/4885LMNA 4392/4885PDE4B 2652/4885

“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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