SCHEMBL346887

SCHEMBL346887

COC(=O)C1CCc2ccc(-c3cccc(NC(=O)OC(C)(C)C)c3)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.48
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
FAAH O00519 5/20 0.41
GRIA2 P42262 1/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC4 P56524 1/20 0.41
NPY1R P25929 1/20 0.40
MGLL Q99685 3/20 0.40
BCL2 P10415 1/20 0.40
BECN1 Q14457 1/20 0.40
CDC25A P30304 1/20 0.39
CDC25B P30305 1/20 0.39
CDC25C P30307 1/20 0.39
DUSP3 P51452 1/20 0.39
NR1I3 Q14994 1/20 0.38
DGAT1 O75907 1/20 0.38
HDAC3 O15379 2/20 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
SCHEMBL10197734 0.89 CYP17A1 (0.47) CYP17A1BRD4CREBBPNPC1RAB9A
SCHEMBL346602 0.88 KDM4E (0.45) NPC1RAB9AFAAHGRIA2CDC25A
SCHEMBL346828 0.88 NPC1 (0.49) NPC1RAB9ANR1I3
SCHEMBL346091 0.86 FAAH (0.46) NPC1RAB9AFAAH
SCHEMBL10197933 0.81 KDM4E (0.44) NPC1RAB9AFAAHGRIA2MGLL
SCHEMBL10260957 0.81 FAAH (0.57) FAAH
SCHEMBL345380 0.80 FAAH (0.47) FAAH
SCHEMBL346328 0.79 ADRB3 (0.46) FAAH
SCHEMBL460022 0.79 FAAH (0.46) FAAH
Hydrochloric Acid SCHEMBL345449 0.78 FAAH (0.45) FAAH

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
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 CYP17A1 919/4885BRD4 233/4885CREBBP 1692/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 CYP17A1 1217/4885BRD4 222/4885CREBBP 2689/4885

“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.