SCHEMBL2803010

SCHEMBL2803010

CNC(=O)Oc1ccc(C[C@H](N)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 7/20 0.57
▸ PTPN1 P18031 1/20 0.54
▸ PTGS1 P23219 3/20 0.53
▸ ALPI P09923 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ XIAP P98170 1/20 0.53
▸ ITGB3 P05106 1/20 0.52
▸ ITGA2B P08514 1/20 0.52
▸ TPH1 P17752 3/20 0.47
▸ GRB2 P62993 1/20 0.47
▸ ALOX15 P16050 3/20 0.46
▸ HIF1A Q16665 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ EGFR P00533 1/20 0.46
▸ LCK P06239 1/20 0.46
▸ FYN P06241 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ HTR2A P28223 1/20 0.46

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
SCHEMBL2802955 0.85 SLC7A5 (0.55) SLC7A5PTPN1PTGS1ALPIPKM
SCHEMBL671002 0.84 SLC7A5 (0.61) SLC7A5PTPN1PTGS1ALPIPKM
SCHEMBL22645606 0.84 SLC7A5 (0.61) SLC7A5PTPN1PTGS1ALPIPKM
SCHEMBL450849 0.84 SLC7A5 (0.61) SLC7A5PTPN1PTGS1ALPIPKM
SCHEMBL451772 0.82 SLC7A5 (0.62) SLC7A5PTPN1PTGS1ALPIPKM
SCHEMBL12611741 0.82 SLC7A5 (0.54) SLC7A5PTPN1PTGS1ALPIPKM
SCHEMBL12611880 0.82 SLC7A5 (0.54) SLC7A5PTPN1PTGS1ALPIPKM
SCHEMBL1639831 0.81 SLC7A5 (0.61) SLC7A5PTPN1PTGS1ALPIPKM
SCHEMBL20214592 0.81 PTGS2 (0.51) PTGS1HTR2APTGS2CHRM1NFKB1
SCHEMBL3420594 0.80 SLC7A5 (0.53) SLC7A5PTPN1PTGS1ALPIPKM

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
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 — — US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 — — US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 — — US disclosed
WO-2010108059-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR INCYTE CORPORATION (US) 2010-09-23 — — WO 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 (2 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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS HRH4, HRH2, HRH1 SLC7A5 1102/4885PTPN1 2207/4885PTGS1 63/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 SLC7A5 918/4885PTPN1 2021/4885PTGS1 100/4885

“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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