SCHEMBL459943

SCHEMBL459943

CN(C)S(=O)(=O)c1cccc(-c2ccc3c(c2)CC(C(=O)NO)CC3)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.53
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
ALDH1A1 P00352 4/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.40
USP30 Q70CQ3 1/20 0.39
GHSR Q92847 1/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ACHE P22303 1/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
POLB P06746 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
SCHEMBL459845 0.81 FAAH (0.49) GHSRHDAC8HDAC6
SCHEMBL10260016 0.81 FAAH (0.51) GHSRHDAC8HDAC6
SCHEMBL436855 0.79 GHSR (0.46) GHSRCA1CA2ACHEHDAC8
SCHEMBL346051 0.79 CA1 (0.47) JAK1USP30KMT2ACA1CA2
SCHEMBL10197736 0.79 HDAC1 (0.53) NPC1RAB9AALDH1A1CA1CA2
SCHEMBL10197667 0.78 GRIA2 (0.53) GRIA2ALDH1A1GHSRPOLB
SCHEMBL346350 0.77 MAPK1 (0.48) GRIA2ALDH1A1LMNAGHSRKMT2A
SCHEMBL346515 0.76 DGAT1 (0.43) GRIA2GHSRPOLBSMN1; SMN2
SCHEMBL346632 0.76 KDM4E (0.44) ALDH1A1LMNAGHSRKMT2AHDAC8
SCHEMBL461537 0.76 RXRA (0.47) RAB9AGHSRCA1CA2HDAC8

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 4 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

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 GRIA2 237/4885NPC1 2892/4885RAB9A 1979/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 GRIA2 674/4885NPC1 3030/4885RAB9A 939/4885

“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.