SCHEMBL2802955

SCHEMBL2802955

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 6/20 0.55
▸ PTPN1 P18031 1/20 0.51
▸ PTGS1 P23219 3/20 0.50
▸ ITGB3 P05106 1/20 0.50
▸ ITGA2B P08514 1/20 0.50
▸ ALPI P09923 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ XIAP P98170 1/20 0.50
▸ CYP3A4 P08684 3/20 0.46
▸ ALOX15 P16050 3/20 0.46
▸ HIF1A Q16665 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ ACHE P22303 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
SCHEMBL13125640 0.87 PTGS2 (0.45) SLC7A5ALDH1A1PTGS2
SCHEMBL2803010 0.85 SLC7A5 (0.57) SLC7A5PTPN1PTGS1ITGB3ITGA2B
SCHEMBL671002 0.85 SLC7A5 (0.61) SLC7A5PTPN1PTGS1ITGB3ITGA2B
SCHEMBL450849 0.85 SLC7A5 (0.61) SLC7A5PTPN1PTGS1ITGB3ITGA2B
SCHEMBL22645606 0.85 SLC7A5 (0.61) SLC7A5PTPN1PTGS1ITGB3ITGA2B
SCHEMBL451772 0.83 SLC7A5 (0.62) SLC7A5PTPN1PTGS1ITGB3ITGA2B
SCHEMBL4581449 0.81 SLC7A5 (0.56) SLC7A5PTPN1PTGS1ITGB3ITGA2B
SCHEMBL21394023 0.81 ACACB (0.57) SLC7A5PTPN1PTGS1ALPIPKM
SCHEMBL4629444 0.81 SLC7A5 (0.56) SLC7A5PTPN1PTGS1ITGB3ITGA2B
SCHEMBL9937712 0.81 SLC7A5 (0.56) SLC7A5PTPN1PTGS1ITGB3ITGA2B

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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