SCHEMBL2511151

SCHEMBL2511151

CCc1ccc2nc(C)c(C(=O)O)c(N)c2c1O[C@@H]1C[C@H](C)CC[C@H]1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.39
▸ HPGD P15428 2/20 0.39
▸ CYP19A1 P11511 2/20 0.39
▸ LMNA P02545 3/20 0.37
▸ SERPINE1 P05121 3/20 0.37
▸ MAPT P10636 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ P2RX4 Q99571 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TSHR P16473 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ USP2 O75604 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
SCHEMBL31670269 0.83 ALDH1A1 (0.43) ALDH1A1HPGDCYP19A1LMNASERPINE1
SCHEMBL19901701 0.83 ALDH1A1 (0.43) ALDH1A1HPGDCYP19A1LMNASERPINE1
SCHEMBL626788 0.83 ALDH1A1 (0.43) ALDH1A1HPGDCYP19A1LMNASERPINE1
SCHEMBL2514854 0.79 GRM1 (0.36) MEN1KMT2A
SCHEMBL2512646 0.78 TSHR (0.32) TSHR
SCHEMBL620356 0.76 ALDH1A1 (0.43) ALDH1A1HPGDCYP19A1LMNAMAPT
SCHEMBL2510936 0.76 SMYD3 (0.36) TSHR
SCHEMBL2512608 0.75 HPGD (0.38) ALDH1A1HPGDLMNAGAAKDM4E
SCHEMBL2511075 0.75 MEN1 (0.39) ALDH1A1HPGDMAPTKDM4EMEN1
SCHEMBL2517588 0.74 TARBP2 (0.36) ALDH1A1KDM4EMEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592592-B2 Sweet flavor modifier SENOMYX, INC. (US) 2013-11-26 — — US disclosed
US-20110245353-A1 SWEET FLAVOR MODIFIER SENOMYS, INC. (US) 2011-10-06 — — 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-20110245353-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 ALDH1A1 664/4885HPGD 2448/4885CYP19A1 3629/4885

“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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