SCHEMBL2407252

SCHEMBL2407252

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2s1)c1ccc(C(=O)NO)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.53
HDAC6 Q9UBN7 5/20 0.53
HDAC3 O15379 4/20 0.53
HDAC2 Q92769 4/20 0.53
HDAC4 P56524 3/20 0.53
HDAC7 Q8WUI4 3/20 0.53
HDAC10 Q969S8 3/20 0.53
HDAC11 Q96DB2 3/20 0.53
HDAC8 Q9BY41 3/20 0.53
HDAC9 Q9UKV0 3/20 0.53
HDAC5 Q9UQL6 3/20 0.53
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
CXCR2 P25025 1/20 0.42
PIN1 Q13526 2/20 0.41
TMIGD3 P0DMS9 1/20 0.40
ADORA1 P30542 1/20 0.40
STAT1 P42224 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 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
SCHEMBL2407859 0.86 HDAC1 (0.56) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL2410824 0.84 HDAC1 (0.59) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL12280347 0.84 HDAC1 (0.59) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL12280603 0.78 HDAC1 (0.56) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL12280337 0.78 PHGDH (0.50) HDAC1HDAC6HDAC2HDAC10HDAC8
SCHEMBL2409712 0.77 HDAC1 (0.46) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL2408366 0.75 HDAC1 (0.48) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL16297608 0.74 HDAC1 (0.60) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL2406936 0.74 HDAC1 (0.61) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL2406188 0.74 HDAC1 (0.61) HDAC1HDAC6HDAC3HDAC2HDAC4

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 6 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
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 HDAC1 3/4885HDAC6 1/4885HDAC3 5/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 HDAC1 3/4885HDAC6 1/4885HDAC3 5/4885

“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.