SCHEMBL4462904

SCHEMBL4462904

CC(C)(C)OC(=O)C(N)(C(=O)O)c1cnccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.36
▸ NAPRT Q6XQN6 1/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MC4R P32245 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ MC3R P41968 1/20 0.34
▸ RAB9A P51151 4/20 0.34
▸ LMNA P02545 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ NPC1 O15118 3/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31

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
SCHEMBL4475549 0.83 RAB9A (0.40) GPR119KDM4ETSHRRAB9AALDH1A1
SCHEMBL28511183 0.76 KDM4E (0.42) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL18498462 0.76 KDM4E (0.42) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL7234332 0.75 LMNA (0.49) GPR119RAB9ALMNACYP19A1ALDH1A1
SCHEMBL27711848 0.74 GPR119 (0.33) GPR119KDM4EADORA3TSHRMC4R
SCHEMBL9474462 0.73 KDM4E (0.42) GPR119KDM4ENAPRTHCAR2ADORA3
SCHEMBL28519041 0.72 KDM4E (0.43) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL8602179 0.70 ADORA3 (0.43) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL17047101 0.69 KDM4E (0.40) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL9545277 0.68 CYP1A2 (0.49) GPR119TSHRALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476663-B2 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-13 — — US disclosed
CN-101014591-A Novel substituted thiophenecarboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INT (DE) 2007-08-08 — — CN disclosed
US-20050277628-A1 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-15 — — 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-20050277628-A1 Substituted thiophene carboxamides OTC, SLC22A8, DDC GPR119 1540/4885KDM4E 2517/4885NAPRT 3098/4885

“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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