SCHEMBL23525155

SCHEMBL23525155

CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)F

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.53
▸ CASP3 P42574 4/20 0.53
▸ EPHX2 P34913 1/20 0.50
▸ MDM4 O15151 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ PIN1 Q13526 1/20 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
SCHEMBL29390431 1.00 KMT2A (0.53) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL6980324 1.00 KMT2A (0.53) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL7156981 1.00 KMT2A (0.53) KMT2ACASP3EPHX2MDM4TP53
Hydrochloric Acid SCHEMBL1344001 0.89 CASP3 (0.56) KMT2ACASP3EPHX2MDM4TP53
Hydrochloric Acid SCHEMBL30428250 0.89 CASP3 (0.56) KMT2ACASP3EPHX2MDM4TP53
Hydrochloric Acid SCHEMBL28884223 0.89 CASP3 (0.56) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL178736 0.88 CASP3 (0.57) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL12681450 0.88 CASP3 (0.56) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL16000770 0.88 KMT2A (0.54) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL25002346 0.88 CASP3 (0.56) KMT2ACASP3EPHX2MDM4TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210188906-A1 TUBULYSIN ANALOGUES AS ANTICANCER AGENTS AND PAYLOADS FOR ANTIBODY-DRUG CONJUGATES AND METHODS OF TREATMENT THEREWITH WILLIAM MARSH RICE UNIVERSITY (US) 2021-06-24 — — US disclosed
CN-1148346-C Hydrazine derivative - 2004-05-05 — — CN disclosed
CN-1309634-A Hydrazine derivs. HOFFMANN LA ROCHE (CH) 2001-08-22 — — CN 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-20210188906-A1 TUBULYSIN ANALOGUES AS ANTICANCER AGENTS AND PAYLOADS FOR ANTIBODY-DRUG CONJUGATES AND METHODS OF TREATMENT THEREWITH TEK, CD2BP2, SDCBP KMT2A 2974/4885CASP3 1752/4885EPHX2 3822/4885

“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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