SCHEMBL1300312

SCHEMBL1300312

CNC(=O)[C@@H](NC(=O)c1ccco1)C(C)C

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.63
▸ LMNA P02545 2/20 0.63
▸ KMT2A Q03164 2/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ HSPA8 P11142 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.55
▸ RCE1 Q9Y256 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.51
▸ TP53 P04637 2/20 0.50
▸ GAA P10253 2/20 0.49
▸ RAB9A P51151 2/20 0.48
▸ PAX8 Q06710 1/20 0.47

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
SCHEMBL1106975 0.79 KMT2A (0.62) POLBLMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL353706 0.76 — —
SCHEMBL9200428 0.76 KMT2A (0.59) POLBLMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL24882693 0.75 KMT2A (0.55) POLBLMNAKMT2ASMN1; SMN2HSPA8
SCHEMBL1300418 0.75 ALDH1A1 (0.56) POLBLMNAKMT2ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL10507692 0.75 CES2 (0.61) POLBLMNAKMT2ASMN1; SMN2KDM4E
SCHEMBL18906021 0.74 KMT2A (0.61) POLBLMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL15743809 0.74 KMT2A (0.57) POLBLMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL7375736 0.74 KMT2A (0.54) POLBLMNAKMT2ASMN1; SMN2HSPA8
SCHEMBL7375739 0.74 KMT2A (0.57) POLBLMNAKMT2ASMN1; SMN2HSPA8

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-20110275625-A1 Heteroaryl Diamide Compounds Useful as MMP-13 Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 — — US disclosed
US-20110269668-A1 Fused Heteroaryl Diamide Compounds Useful as MMP-13 Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 — — 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 (2 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-20110269668-A1 Fused Heteroaryl Diamide Compounds Useful as MMP-13 Inhibitors MMP13, MMP2, MMP3 POLB 959/4885LMNA 1436/4885KMT2A 3514/4885
US-20110275625-A1 Heteroaryl Diamide Compounds Useful as MMP-13 Inhibitors MMP13, MMP3, MMP11 POLB 977/4885LMNA 1468/4885KMT2A 3523/4885

“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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