SCHEMBL13489762

SCHEMBL13489762

CCC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)F

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ PIN1 Q13526 1/20 0.48
▸ EPHX2 P34913 1/20 0.46
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MDM4 O15151 1/20 0.44
▸ TP53 P04637 1/20 0.44

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
SCHEMBL29439334 1.00 CASP3 (0.49) CASP3KMT2APIN1EPHX2CYP3A4
SCHEMBL3210403 1.00 CASP3 (0.49) CASP3KMT2APIN1EPHX2CYP3A4
SCHEMBL119497 0.89 CASP3 (0.52) CASP3KMT2APIN1EPHX2CYP3A4
SCHEMBL1564185 0.89 CASP3 (0.52) CASP3KMT2APIN1EPHX2CYP3A4
SCHEMBL6038102 0.89 CASP3 (0.52) CASP3KMT2APIN1EPHX2CYP3A4
SCHEMBL118209 0.89 CASP3 (0.52) CASP3KMT2APIN1EPHX2CYP3A4
SCHEMBL14019298 0.89 POLB (0.51) CASP3KMT2APIN1EPHX2CYP3A4
SCHEMBL1486287 0.89 CASP3 (0.52) CASP3KMT2APIN1EPHX2CYP3A4
SCHEMBL1486214 0.89 CASP3 (0.52) CASP3KMT2APIN1EPHX2CYP3A4
SCHEMBL30896048 0.89 CASP3 (0.52) CASP3KMT2APIN1EPHX2CYP3A4

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-20100047841-A1 SYNTHESIS OF DESACETOXYTUBULYSIN H AND ANALOGS THEREOF UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2010-02-25 — — 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-20100047841-A1 SYNTHESIS OF DESACETOXYTUBULYSIN H AND ANALOGS THEREOF XDH, XPA, TPX2 CASP3 690/4885KMT2A 2105/4885PIN1 1641/4885

“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.

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