SCHEMBL10003754

SCHEMBL10003754

CCOc1c(C(=O)O)sc2nc(C)[nH]c(=O)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.49
▸ MAPT P10636 6/20 0.47
▸ PPARG P37231 1/20 0.47
▸ NCOA2 Q15596 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ ALDH1A1 P00352 8/20 0.43
▸ GAA P10253 5/20 0.43
▸ KDM4E B2RXH2 5/20 0.43
▸ HPGD P15428 3/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ L3MBTL1 Q9Y468 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ KMT2A Q03164 6/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ HIF1A Q16665 1/20 0.40

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
SCHEMBL10004185 0.88 MAPT (0.58) TSHRMAPTPPARGNCOA2RXFP1
SCHEMBL4524089 0.76 MAPT (0.74) TSHRMAPTPPARGNCOA2RXFP1
SCHEMBL10003779 0.74 CHRM4 (0.43) TSHRMAPTPPARGNCOA2RXFP1
SCHEMBL10003985 0.70 PDE5A (0.36) TSHRMAPTALDH1A1GAAKDM4E
SCHEMBL16298729 0.70 MAPK1 (0.63) TSHRMAPTPPARGNCOA2RXFP1
SCHEMBL8197906 0.68 ALDH1A1 (0.68) TSHRMAPTPPARGNCOA2RXFP1
SCHEMBL3494401 0.67 ALDH1A1 (0.57) TSHRMAPTALDH1A1KDM4EHPGD
SCHEMBL1060667 0.66 ALDH1A1 (0.39) TSHRRXFP1ALDH1A1KDM4EHPGD
SCHEMBL3491468 0.65 ALDH1A1 (0.58) TSHRMAPTALDH1A1GAAKDM4E
SCHEMBL1062649 0.65 ALDH1A1 (0.40) TSHRMAPTRXFP1MAPK1ALDH1A1

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-2471793-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-10-05 — — EP disclosed
US-8614208-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-24 — — US disclosed
US-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 — — US disclosed
EP-2471793-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-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH TSHR 2374/4885MAPT 4783/4885PPARG 1436/4885

“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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