SCHEMBL5653852

SCHEMBL5653852

O=C(O)CCc1ccccc1NC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NCc1ccc2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.46
SIRT5 Q9NXA8 3/20 0.45
HTT P42858 1/20 0.44
PTGER4 P35408 4/20 0.43
HDAC1 Q13547 3/20 0.41
CASP3 P42574 3/20 0.40
CASP7 P55210 3/20 0.40
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL5653482 0.93 FOLH1 (0.41) FOLH1SIRT5HTTPTGER4HDAC1
SCHEMBL5655056 0.84 FOLH1 (0.51) FOLH1SIRT5HTTPTGER4
SCHEMBL5655045 0.82 PTGER4 (0.52) FOLH1SIRT5HTTPTGER4HDAC1
SCHEMBL5655924 0.81 HDAC1 (0.47) FOLH1SIRT5PTGER4HDAC1HDAC4
SCHEMBL5654551 0.81 HDAC1 (0.47) FOLH1SIRT5PTGER4HDAC1
SCHEMBL5652247 0.81 HDAC1 (0.49) FOLH1SIRT5PTGER4HDAC1HDAC4
SCHEMBL5654619 0.80 PTGER4 (0.48) FOLH1SIRT5PTGER4HDAC1HDAC4
SCHEMBL5654868 0.80 HDAC1 (0.46) FOLH1SIRT5PTGER4HDAC1HDAC4
SCHEMBL5654879 0.79 HDAC1 (0.49) SIRT5PTGER4HDAC1HDAC4HDAC6
SCHEMBL5651770 0.79 PTGER4 (0.51) FOLH1SIRT5PTGER4HDAC1HDAC4

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-20070142638-A1 Ornithine derivatives as prostaglandin e2 agonists or antagonists ASTELLAS PHARMA INC. (JP) 2007-06-21 US claimed
US-20070142638-A1 Ornithine derivatives as prostaglandin e2 agonists or antagonists ASTELLAS PHARMA INC. (JP) 2007-06-21 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-20070142638-A1 Ornithine derivatives as prostaglandin e2 agonists or antagonists PTGER4, OXER1, RXFP4 FOLH1 2951/4885SIRT5 1504/4885HTT 4290/4885

“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.