SCHEMBL19085694

SCHEMBL19085694

NCC(=O)N[C@H](CO)Cc1cnc[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC15A2 Q16348 1/20 0.53
▸ CYP3A4 P08684 2/20 0.50
▸ SLC7A5 Q01650 1/20 0.50
▸ CPB2 Q96IY4 1/20 0.47
▸ CYP2D6 P10635 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HRH4 Q9H3N8 3/20 0.44
▸ HRH3 Q9Y5N1 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ THPO P40225 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ FAAH O00519 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43

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
SCHEMBL2178184 0.89 CYP3A4 (0.56) SLC15A2CYP3A4SLC7A5CPB2CYP2D6
SCHEMBL2195381 0.89 CYP3A4 (0.56) SLC15A2CYP3A4SLC7A5CPB2CYP2D6
SCHEMBL14152015 0.89 CYP3A4 (0.56) SLC15A2CYP3A4SLC7A5CPB2CYP2D6
SCHEMBL18381376 0.81 FAAH (0.55) SLC15A2CYP3A4SLC7A5CPB2TSHR
SCHEMBL2199277 0.81 FAAH (0.47) CYP3A4SLC7A5CYP2D6TSHRCYP2C19
SCHEMBL30081493 0.80 SLC15A2 (0.72) SLC15A2CYP3A4SLC7A5CPB2CYP2C19
SCHEMBL2197786 0.80 SLC15A2 (0.72) SLC15A2CYP3A4SLC7A5CPB2CYP2C19
SCHEMBL2276192 0.79 QPCT (0.56) CYP3A4SLC7A5CYP2D6TSHRCYP2C19
SCHEMBL23312951 0.79 SLC15A2 (0.61) SLC15A2CYP3A4SLC7A5CPB2CYP2D6
SCHEMBL16628203 0.78 SLC15A2 (0.63) SLC15A2CYP3A4SLC7A5CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170190691-A1 NOVEL 5-ACYLSULFANYL-HISTIDINE COMPOUNDS AS PRECURSORS OF THE CORRESPONDING 5-SULFANYLHISTIDINES AND THEIR DISULFIDES TETRAHEDRON (FR) 2017-07-06 — — 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-20170190691-A1 NOVEL 5-ACYLSULFANYL-HISTIDINE COMPOUNDS AS PRECURSORS OF THE CORRESPONDING 5-SULFANYLHISTIDINES AND THEIR DISULFIDES AHCYL1, CBS, H1-5 SLC15A2 1782/4885CYP3A4 2019/4885SLC7A5 79/4885

“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.

Send feedback