SCHEMBL2194274

SCHEMBL2194274

COC(=O)[C@H](CC(C)C)NC(=O)C=Cc1ccccc1F

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 12/20 0.74
NOS3 P29474 10/20 0.74
NOS1 P29475 10/20 0.74
TAS1R3 Q7RTX0 2/20 0.61
TAS1R1 Q7RTX1 2/20 0.61
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
CDC25B P30305 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
SCHEMBL2194273 1.00 NOS2 (0.74) NOS2NOS3NOS1TAS1R3TAS1R1
SCHEMBL2194276 1.00 NOS2 (0.74) NOS2NOS3NOS1TAS1R3TAS1R1
SCHEMBL1711462 0.88 NOS3 (0.57) NOS2NOS3NOS1TAS1R3TAS1R1
SCHEMBL28022277 0.88 NOS2 (0.57) NOS2NOS3NOS1TAS1R3TAS1R1
SCHEMBL1711460 0.88 NOS3 (0.57) NOS2NOS3NOS1TAS1R3TAS1R1
SCHEMBL1711216 0.88 NOS2 (0.57) NOS2NOS3NOS1TAS1R3TAS1R1
SCHEMBL1711214 0.88 NOS2 (0.57) NOS2NOS3NOS1TAS1R3TAS1R1
SCHEMBL2190274 0.82 CYP3A4 (0.58) NOS2NOS3NOS1TAS1R3TAS1R1
SCHEMBL2190277 0.82 CYP3A4 (0.58) NOS2NOS3NOS1TAS1R3TAS1R1
SCHEMBL28820831 0.82 CYP3A4 (0.58) NOS2NOS3NOS1TAS1R3TAS1R1

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-9150510-B2 Amino acid derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2015-10-06 US 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 NOS2 514/4885NOS3 621/4885NOS1 756/4885

“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.