SCHEMBL7868653

SCHEMBL7868653

COC(=O)c1ccc2c(c1)CCN(S(=O)(=O)c1ccccc1)C2

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.64
AKR1C3 P42330 13/20 0.61
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
AKR1C1 Q04828 3/20 0.57
HDAC6 Q9UBN7 1/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL17786051 0.89 AKR1C3 (0.56) AKR1C3MEN1KMT2AHDAC6
SCHEMBL17786059 0.87 OPRK1 (0.60) AKR1C3HDAC6MAPT
SCHEMBL4239496 0.86 AKR1C3 (0.76) ESR2AKR1C3MEN1KMT2AAKR1C1
SCHEMBL1264112 0.84 HDAC6 (0.74) ESR2AKR1C3MEN1KMT2AAKR1C1
SCHEMBL3184605 0.84 ESR1 (0.62) ESR2AKR1C3MEN1KMT2AHDAC6
SCHEMBL17786052 0.81 OPRK1 (0.56) AKR1C3MEN1KMT2AHDAC6KDM4E
SCHEMBL3280649 0.81 AKR1C3 (0.76) ESR2AKR1C3MEN1KMT2AAKR1C1
SCHEMBL2512100 0.80 MAPT (0.69) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3577040 0.80 MAPT (0.57) AKR1C3MEN1KMT2AAKR1C1MAPT
SCHEMBL1026665 0.79 HDAC1 (0.57) MEN1KMT2AKDM4EALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321731-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-04-26 US disclosed
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-04 US disclosed
US-9096518-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-04 US disclosed
US-8778931-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-8778931-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-20120165316-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-28 US disclosed
US-20120165316-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-28 US disclosed
WO-2012088015-A2 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-28 WO disclosed
US-20110039827-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
WO-2010151318-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 WO 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 (3 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-20120165316-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 ESR2 3090/4885AKR1C3 970/4885MEN1 3348/4885
US-20110039827-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 ESR2 3443/4885AKR1C3 1898/4885MEN1 3500/4885
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 ESR2 3443/4885AKR1C3 1898/4885MEN1 3500/4885

“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.