SCHEMBL10197594

SCHEMBL10197594

CC(C)(C)NC(=O)c1cccc(OC(C)(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 3/20 0.51
TRPV1 Q8NER1 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.44
ANO1 Q5XXA6 1/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL13701706 0.88 TAS1R3 (0.56) LMNAALDH1A1KMT2ANPC1RAB9A
SCHEMBL8541406 0.85 NPC1 (0.64) LMNAALDH1A1KMT2ANPC1RAB9A
SCHEMBL13342147 0.83 HDAC8 (0.67) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10294745 0.83 NPSR1 (0.57) LMNAALDH1A1KMT2ATRPV1NPC1
SCHEMBL13701741 0.83 LMNA (0.60) LMNAALDH1A1KMT2ANPC1RAB9A
SCHEMBL21249304 0.82 LMNA (0.58) LMNAALDH1A1KMT2ANPC1RAB9A
SCHEMBL10294744 0.81 SMN1; SMN2 (0.51) LMNATRPV1TAS1R3TAS1R1SMN1; SMN2
SCHEMBL12133228 0.81 LMNA (0.82) LMNAALDH1A1KMT2ANPC1RAB9A
SCHEMBL25469569 0.80 TRPV1 (0.47) LMNAALDH1A1KMT2ATRPV1NPC1
SCHEMBL23343631 0.80 SMN1; SMN2 (0.54) LMNAALDH1A1KMT2ANPC1RAB9A

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-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-8513421-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-20 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 US disclosed
US-20110288117-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-24 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 (5 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 LMNA 1395/4885ALDH1A1 559/4885KMT2A 41/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 LMNA 2133/4885ALDH1A1 185/4885KMT2A 60/4885
US-20110288117-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 LMNA 1446/4885ALDH1A1 487/4885KMT2A 38/4885
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 LMNA 1529/4885ALDH1A1 676/4885KMT2A 37/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 LMNA 2546/4885ALDH1A1 202/4885KMT2A 62/4885

“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.