SCHEMBL10077082

SCHEMBL10077082

CC(C)(C)OC(=O)NC(CCCCNS(=O)(=O)c1cccc(NC(=O)C(O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)c1)C(=O)N1CCSC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
TGFBR1 P36897 2/20 0.40
SIRT5 Q9NXA8 1/20 0.39
ST14 Q9Y5Y6 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38

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
SCHEMBL10074996 1.00 ALDH1A1 (0.46) ALDH1A1TSHRCA1CA2HDAC4
SCHEMBL10075286 0.94 ALDH1A1 (0.44) ALDH1A1TSHRCA1CA2HDAC4
SCHEMBL10078074 0.93 ALDH1A1 (0.46) ALDH1A1TSHRCA1CA2HDAC4
SCHEMBL10074323 0.87 SIRT5 (0.43) CA1CA2HDAC4HDAC1HDAC3
SCHEMBL10074148 0.87 SIRT5 (0.43) CA1CA2HDAC4HDAC1HDAC3
SCHEMBL10074297 0.84 ALDH1A1 (0.48) ALDH1A1TSHRCA1CA2HDAC4
SCHEMBL10078268 0.84 ALDH1A1 (0.48) ALDH1A1TSHRCA1CA2HDAC4
SCHEMBL10077069 0.84 DPP4 (0.49) HDAC1HDAC8ITGB3ITGA2BDPP4
SCHEMBL10074146 0.84 DPP4 (0.49) HDAC1HDAC8ITGB3ITGA2BDPP4
SCHEMBL10054396 0.84 DPP4 (0.49) HDAC1HDAC8ITGB3ITGA2BDPP4

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-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS IMTM GMBH (DE) 2012-02-02 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-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS SERPINB1, CMA1, CPA3 ALDH1A1 961/4885TSHR 3716/4885CA1 1518/4885

“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.