SCHEMBL460549

SCHEMBL460549

CN1CCC(S(=O)(=O)Nc2cccc(-c3ccc4c(c3)CC(C(=O)NO)CC4)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 9/20 0.43
GAK O14976 2/20 0.43
STK16 O75716 2/20 0.43
BMP2K Q9NSY1 2/20 0.43
USP30 Q70CQ3 1/20 0.42
HSD17B3 P37058 1/20 0.41
OTUD7B Q6GQQ9 2/20 0.41
GRIA2 P42262 3/20 0.40
OGG1 O15527 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CG P48736 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL10197667 0.79 GRIA2 (0.53) AAK1GRIA2OGG1ALDH1A1CYP3A4
SCHEMBL346350 0.78 MAPK1 (0.48) AAK1GRIA2ALDH1A1LMNAMAPK1
SCHEMBL346515 0.78 DGAT1 (0.43) GRIA2MAPK1
SCHEMBL346564 0.76 KMT2A (0.47) MEN1KMT2A
SCHEMBL346777 0.76 KDM4E (0.45) GRIA2MEN1CYP1A2CYP3A4MAPK1
SCHEMBL346051 0.76 CA1 (0.47) USP30KMT2A
SCHEMBL459845 0.76 FAAH (0.49)
SCHEMBL10260016 0.76 FAAH (0.51)
SCHEMBL459943 0.75 GRIA2 (0.53) USP30GRIA2MEN1ALDH1A1LMNA
SCHEMBL460936 0.75 FAAH (0.39) AAK1GAKSTK16BMP2K

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-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
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
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 AAK1 4580/4885GAK 1902/4885STK16 3691/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 AAK1 4555/4885GAK 2740/4885STK16 4517/4885

“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.