SCHEMBL11033242

SCHEMBL11033242

CC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.68
FKBP1A P62942 7/20 0.54
ACE P12821 1/20 0.53
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 1/20 0.49
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL2228388 0.91 PREP (0.71) PREPFKBP1AACEALDH1A1KMT2A
SCHEMBL11764594 0.91 PREP (0.71) PREPFKBP1AACEALDH1A1KMT2A
SCHEMBL18620837 0.90 PREP (0.67) PREPFKBP1AACEALDH1A1CYP3A4
SCHEMBL9464405 0.90 PREP (0.67) PREPFKBP1AACEALDH1A1CYP3A4
SCHEMBL2082597 0.90 PREP (0.69) PREPFKBP1AACEALDH1A1KMT2A
SCHEMBL9518270 0.89 PREP (0.68) PREPFKBP1AACEALDH1A1KMT2A
SCHEMBL7295710 0.88 PREP (0.62) PREPFKBP1AACEALDH1A1CYP3A4
SCHEMBL17576527 0.88 PREP (0.64) PREPFKBP1AACEALDH1A1KMT2A
SCHEMBL21132738 0.88 PREP (0.64) PREPFKBP1AACEALDH1A1KMT2A
SCHEMBL11761001 0.88 PREP (0.67) PREPFKBP1AACEALDH1A1KMT2A

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
JP-60172929-A None JP disclosed
EP-2987794-B1 VINBLASTINE DERIVATIVES, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF UNIV JINAN (CN) 2018-05-30 EP disclosed
US-20160068552-A1 VINBLASTINE DERIVATIVES, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF JINAN UNIVERSITY (CN) 2016-03-10 US disclosed
JP-S60172929-A AGENT FOR ALLEVIATING AMNESIA YAKULT HONSHA CO LTD 1985-09-06 JP 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-20160068552-A1 VINBLASTINE DERIVATIVES, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF WEE1, WEE2, VIP PREP 47/4885FKBP1A 1966/4885ACE 2100/4885

“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.