SCHEMBL10004368

SCHEMBL10004368

CCc1cc2c(c(OC(C)C)c(C(=O)O)n2C)c(=O)n1-c1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ GRIA2 P42262 1/20 0.35
▸ GRIA4 P48058 1/20 0.35
▸ TGM2 P21980 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ SMO Q99835 1/20 0.34
▸ PTGS1 P23219 2/20 0.34
▸ PTGS2 P35354 2/20 0.34
▸ PPARG P37231 1/20 0.34
▸ CXCR5 P32302 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL10004013 0.90 BRPF1 (0.37) ALDH1A1SMOPPARG
SCHEMBL10004511 0.90 MAPT (0.38) L3MBTL1ALDH1A1PTGS1PTGS2MAPK1
SCHEMBL10004363 0.89 NOTUM (0.38) NOTUML3MBTL1GRIA2GRIA4ALDH1A1
SCHEMBL10003727 0.89 HKDC1 (0.37) NOTUML3MBTL1GRIA2GRIA4ALDH1A1
SCHEMBL10004446 0.86 SMO (0.47) NOTUMGRIA2GRIA4ALDH1A1SMO
SCHEMBL10004029 0.83 DRD1 (0.38) GRIA2GRIA4PPARG
SCHEMBL10004461 0.82 PPARG (0.39) SMOPPARG
SCHEMBL10299357 0.80 HKDC1 (0.36) L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL10004187 0.80 MAPT (0.47) ALDH1A1SMN1; SMN2
SCHEMBL10003993 0.80 SMO (0.58) ALDH1A1SMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471790-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-03-18 — — EP disclosed
US-8907089-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-09 — — US disclosed
US-20120220570-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — US disclosed
EP-2471790-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — EP 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-20120220570-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH NOTUM 252/4885L3MBTL1 2806/4885GRIA2 3298/4885

“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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