SCHEMBL15929863

SCHEMBL15929863

CO[C@H](Cc1ccccc1)[C@@H](C[N+](=O)[O-])NC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 3/20 0.49
CTRB1 P17538 5/20 0.45

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
SCHEMBL15929820 0.82 CTRB1 (0.50) CTRB1
SCHEMBL15933120 0.80 CPA1 (0.49) CPA1CTRB1
SCHEMBL15929867 0.78 CPA1 (0.34) CPA1
SCHEMBL15929872 0.76 CPA1 (0.50) CPA1
SCHEMBL901287 0.73 CTRB1 (0.49) CTRB1
SCHEMBL22204893 0.72 CPA1 (0.69) CPA1
SCHEMBL6489445 0.70 CPA1 (0.54) CPA1
SCHEMBL24078873 0.70 CTRB1 (0.58) CTRB1
SCHEMBL7270681 0.70 CTRB1 (0.58) CTRB1
SCHEMBL7815696 0.69 KLK5 (0.60)

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-9040738-B2 Intermediate compounds of tamiflu, methods of preparation and uses thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2015-05-26 US disclosed
US-20140221662-A1 INTERMEDIATE COMPOUNDS OF TAMIFLU, METHODS OF PREPARATION AND USES THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2014-08-07 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-20140221662-A1 INTERMEDIATE COMPOUNDS OF TAMIFLU, METHODS OF PREPARATION AND USES THEREOF NNMT, FLT3, TPMT CPA1 1446/4885CTRB1 2079/4885

“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.