SCHEMBL7061407

SCHEMBL7061407

O=C(O)[C@@H](CN1C(=O)c2ccccc2C1=O)NS(=O)(=O)Cc1ccc2sccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 2/20 0.37
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 1/20 0.35
ACE P12821 3/20 0.35
MME P08473 1/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
PTGER3 P43115 1/20 0.34
CYP2A6 P11509 1/20 0.34

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
SCHEMBL7061415 1.00 ITGAV (0.37) ITGAVCTNNB1WNT3AMMP2MMP9
SCHEMBL6739588 0.90 MMP2 (0.41) MMP2MMP9HDAC1HDAC7HDAC4
SCHEMBL6740111 0.90 MMP2 (0.41) MMP2MMP9HDAC1HDAC7HDAC4
SCHEMBL6740356 0.86 ALDH1A1 (0.34) PTGER3BRD4PER2CRY1CRY2
SCHEMBL6740361 0.86 ALDH1A1 (0.34) PTGER3BRD4PER2CRY1CRY2
SCHEMBL6738805 0.81 MMP7 (0.46) ITGAVCTNNB1WNT3AMMP2MMP9
SCHEMBL6737757 0.81 MMP7 (0.46) ITGAVCTNNB1WNT3AMMP2MMP9
SCHEMBL6741909 0.77 CTNNB1 (0.41) CTNNB1WNT3AHDAC1MEN1KMT2A
SCHEMBL6742824 0.75 GRN (0.38) ITGAVCTNNB1WNT3AMMP2ITGB3
SCHEMBL6743501 0.75 GRN (0.38) ITGAVCTNNB1WNT3AMMP2ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030199571-A1 (Hetero) Bicyclymethanesulfonylamino-substituted hydroxamic acid derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 US disclosed
EP-1244616-A1 (HETERO)BICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES SmithKline Beecham plc (GB) 2002-10-02 EP disclosed
WO-2001047874-A1 (HETERO)BICYCLYMETHANESULFONYLAMINO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2001-07-05 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 (1 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-20030199571-A1 (Hetero) Bicyclymethanesulfonylamino-substituted hydroxamic acid derivatives CD40, CD22, CD2 ITGAV 546/4885CTNNB1 3925/4885WNT3A 1856/4885

“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.