SCHEMBL12321407

SCHEMBL12321407

CC(C)[C@@H](NCc1ccc(NC(=O)C2CCN(C)CC2)cc1)c1ccc(C(=O)NO)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.46
▸ TRPV1 Q8NER1 5/20 0.46
▸ MAPT P10636 1/20 0.44
▸ HDAC6 Q9UBN7 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ CTNNB1 P35222 1/20 0.43
▸ TCF7L2 Q9NQB0 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.42
▸ GAA P10253 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ LTA4H P09960 1/20 0.40
▸ PKM P14618 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
SCHEMBL12271847 0.77 CTNNB1 (0.43) ENPP2TRPV1MAPTKMT2AMEN1
SCHEMBL10306602 0.71 MAPT (0.58) MAPTKMT2AMEN1GAAPTPN1
SCHEMBL2410279 0.71 HDAC6 (0.48) HDAC6ALDH1A1
SCHEMBL12280140 0.71 HDAC6 (0.43) HDAC6KMT2A
SCHEMBL18754208 0.70 CARM1 (0.57) TRPV1MAPTKMT2AMEN1CTNNB1
SCHEMBL10131252 0.69 LMNA (0.60) MAPTKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL12211138 0.69 HDAC6 (0.49) ENPP2HDAC6KMT2AMEN1CTNNB1
SCHEMBL17883340 0.69 HDAC6 (0.41) MAPTHDAC6KMT2AMEN1TSHR
SCHEMBL23928217 0.68 POLB (0.55) MAPTKMT2AMEN1CTNNB1TCF7L2
SCHEMBL2408877 0.68 HDAC1 (0.58) HDAC6KMT2AMEN1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 — — US disclosed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 — — US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 — — US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 — — US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 — — 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-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 ENPP2 909/4885TRPV1 3454/4885MAPT 2484/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 ENPP2 909/4885TRPV1 3454/4885MAPT 2484/4885

“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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