SCHEMBL10003727

SCHEMBL10003727

CCc1cc2c(c(OC(C)C)c(C(=O)O)n2C)c(=O)n1-c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HKDC1 Q2TB90 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PTGDR2 Q9Y5Y4 2/20 0.35
▸ NOTUM Q6P988 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ TRPC5 Q9UL62 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SMO Q99835 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GRIA2 P42262 1/20 0.33
▸ GRIA4 P48058 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
SCHEMBL10299357 0.91 HKDC1 (0.36) HKDC1SMN1; SMN2PTGDR2L3MBTL1TRPC5
SCHEMBL10004013 0.90 BRPF1 (0.37) ALDH1A1SMOKDM4E
SCHEMBL10004029 0.90 DRD1 (0.38) KDM4EGRIA2GRIA4
SCHEMBL10004461 0.89 PPARG (0.39) SMO
SCHEMBL10004293 0.89 GABRA2 (0.39) HKDC1SMN1; SMN2L3MBTL1ALDH1A1HPGD
SCHEMBL10004368 0.89 NOTUM (0.38) SMN1; SMN2NOTUML3MBTL1ALDH1A1SMO
SCHEMBL10004554 0.88 HKDC1 (0.39) HKDC1SMN1; SMN2NOTUML3MBTL1SMO
SCHEMBL10299326 0.88 AHR (0.40) SMN1; SMN2ALDH1A1
SCHEMBL10299362 0.88 SRC (0.41) HKDC1SMN1; SMN2PTGDR2ALDH1A1SMO
SCHEMBL10299324 0.86 SMO (0.35) HKDC1SMN1; SMN2PTGDR2TRPC5SMO

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 HKDC1 2807/4885SMN1; SMN2 3164/4885PTGDR2 953/4885

“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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