SCHEMBL14417972

SCHEMBL14417972

CCOC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ TSHR P16473 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ FKBP1A P62942 5/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ F2 P00734 1/20 0.41

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
SCHEMBL15803221 0.89 PDK2 (0.45) ALDH1A1KMT2ATSHRFKBP1ASMN1; SMN2
SCHEMBL15083158 0.89 PDK2 (0.45) ALDH1A1KMT2ATSHRFKBP1ASMN1; SMN2
SCHEMBL29384614 0.88 ALDH1A1 (0.43) ALDH1A1KMT2ATSHRL3MBTL1FKBP1A
SCHEMBL16288999 0.87 ALDH1A1 (0.43) ALDH1A1KMT2AFKBP1ASMN1; SMN2F2
SCHEMBL31683960 0.87 ALDH1A1 (0.43) ALDH1A1KMT2AFKBP1ASMN1; SMN2F2
SCHEMBL15083571 0.87 ALDH1A1 (0.43) ALDH1A1KMT2AFKBP1ASMN1; SMN2F2
SCHEMBL16316793 0.87 ALDH1A1 (0.44) ALDH1A1KMT2ASMN1; SMN2F2
SCHEMBL15805130 0.87 ALDH1A1 (0.44) ALDH1A1KMT2ASMN1; SMN2F2
SCHEMBL16316767 0.87 ALDH1A1 (0.44) ALDH1A1KMT2ASMN1; SMN2F2
SCHEMBL119560 0.85 ALDH1A1 (0.58) ALDH1A1KMT2ASMN1; SMN2F2

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
EP-3608317-A1 COMPOUNDS & METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS & OTHER POLYPEPTIDES BY AN E3 UBIQUITIN LIGASE Yale University (US) 2020-02-12 — — EP disclosed
US-20070225344-A1 Sulfonamide derivatives to treat infection with hepatitis C virus WYETH 2007-09-27 — — 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-20070225344-A1 Sulfonamide derivatives to treat infection with hepatitis C virus HCCS, HAVCR2, SULT2A1 ALDH1A1 907/4885KDM4E 3418/4885MEN1 2113/4885

“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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