SCHEMBL5384653

SCHEMBL5384653

COC(=O)CNc1ccc(CNS(C)(=O)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
CA2 P00918 11/20 0.49
CA12 O43570 10/20 0.49
CA1 P00915 10/20 0.49
CA9 Q16790 5/20 0.49
CA14 Q9ULX7 3/20 0.49
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
CA7 P43166 6/20 0.45
NAMPT P43490 1/20 0.43
CNR2 P34972 1/20 0.42
CYP2D6 P10635 1/20 0.41

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
SCHEMBL5843449 0.81 KMT2A (0.60) KMT2ACA2CA12CA9CA14
SCHEMBL5342666 0.81 KMT2A (0.53) KMT2ACA2CA12CA1CA9
SCHEMBL6249295 0.77 POLB (0.49) KMT2ACA2CA12CA1KDM4E
SCHEMBL460030 0.76 ALDH1A1 (0.49) KMT2ACA2CA12CA1CA9
SCHEMBL5346268 0.76 LOXL2 (0.53) KMT2ACA2CA12CA1CA9
Sulfuric Acid SCHEMBL7322315 0.75 CA12 (0.45) CA2CA12CA1CA9CA14
SCHEMBL7151292 0.74 POLB (0.49) KMT2ACA2CA12CA1CA9
SCHEMBL7438653 0.74 CYP4F2 (0.46) KMT2AKDM4EPOLBNPC1RAB9A
SCHEMBL14279383 0.74 LSS (0.46) KMT2ACA2CA12CA1CA9
SCHEMBL2837637 0.74 KMT2A (0.70) KMT2ACA2CA12CA1CA9

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-7160902-B2 Amide derivatives and methods of their use ADOLOR CORPORATION (US) 2007-01-09 US disclosed
WO-2005049564-A1 AMIDE DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2005-06-02 WO disclosed
US-20050107355-A1 Amide derivatives and methods of their use CUBIST PHARMACEUTICALS, INC. 2005-05-19 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 (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-20050107355-A1 Amide derivatives and methods of their use HRH2, SLC10A2, ALPI KMT2A 3693/4885CA2 1342/4885CA12 1586/4885

“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.