SCHEMBL1711285

SCHEMBL1711285

CSCC[C@H](NC(=O)C=Cc1ccccc1F)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 2/20 0.50
PTPN1 P18031 2/20 0.50
PTPN6 P29350 2/20 0.50
CDC25B P30305 2/20 0.50
GAA P10253 1/20 0.48
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
LTA4H P09960 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL1711573 1.00 PTPN2 (0.50) PTPN2PTPN1PTPN6CDC25BGAA
SCHEMBL2190277 0.88 CYP3A4 (0.58) PTPN2PTPN1PTPN6CDC25BGAA
SCHEMBL2190274 0.88 CYP3A4 (0.58) PTPN2PTPN1PTPN6CDC25BGAA
SCHEMBL28820831 0.88 CYP3A4 (0.58) PTPN2PTPN1PTPN6CDC25BGAA
SCHEMBL1710892 0.84 PTPN2 (0.53) PTPN2PTPN1PTPN6CDC25BGAA
SCHEMBL1710894 0.84 PTPN2 (0.53) PTPN2PTPN1PTPN6CDC25BGAA
SCHEMBL27608430 0.84 GAA (0.63) GAAFNTAFNTBCYP3A4CYP2C19
SCHEMBL27608428 0.84 GAA (0.63) GAAFNTAFNTBCYP3A4CYP2C19
SCHEMBL1710952 0.82 PTPN2 (0.55) PTPN2PTPN1PTPN6CDC25BSMN1; SMN2
SCHEMBL1710949 0.82 PTPN2 (0.55) PTPN2PTPN1PTPN6CDC25BSMN1; SMN2

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-9150510-B2 Amino acid derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2015-10-06 US disclosed
EP-2345635-A1 AMINO ACID DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2011-07-20 EP disclosed
US-20110172442-A1 AMINO ACID DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2011-07-14 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-20110172442-A1 AMINO ACID DERIVATIVE OPRL1, OPRK1, SLC1A1 PTPN2 3704/4885PTPN1 4062/4885PTPN6 3602/4885

“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.