SCHEMBL7534508

SCHEMBL7534508

O=c1[nH]c2cc(Cl)c(NS(=O)(=O)c3cccs3)cc2o1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 14/20 0.51
PKM P14618 1/20 0.47
BRAF P15056 1/20 0.47
KMO O15229 1/20 0.47
BRD4 O60885 1/20 0.46
FBP1 P09467 1/20 0.45

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
SCHEMBL7507572 0.95 CCR2 (0.51) CCR2PKMBRAFKMOBRD4
SCHEMBL7527762 0.86 MEN1 (0.50) CCR2BRD4
SCHEMBL7507660 0.84 MEN1 (0.50) CCR2BRD4
SCHEMBL9931104 0.84 CCR2 (0.65) CCR2PKM
SCHEMBL15479111 0.82 CCR2 (0.54) CCR2PKMBRAFBRD4
SCHEMBL7507641 0.81 BRD4 (0.57) PKMBRD4
SCHEMBL7507721 0.74 CCR2 (0.52) CCR2PKMBRAF
SCHEMBL7501817 0.73 POLB (0.57) PKMKMOBRD4FBP1
SCHEMBL7533254 0.72 ALDH1A1 (0.54) PKM
SCHEMBL7501768 0.71 CCR2 (0.49) CCR2BRAFBRD4FBP1

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-20170007608-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE AGIOS PHARMACEUTICALS INC (US) 2017-01-12 US disclosed
US-20140249150-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE AGIOS PHARMACEUTICALS, INC (US) 2014-09-04 US disclosed
US-8501953-B2 PKM2 modulators for use in the treatment of cancer AGIOS PHARMACEUTICALS, INC (US) 2013-08-06 US disclosed
US-20120122849-A1 PKM2 MODULATORS FOR USE IN THE TREATMENT OF CANCER AGIOS PHARMACEUTICALS, INC. 2012-05-17 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 (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-20120122849-A1 PKM2 MODULATORS FOR USE IN THE TREATMENT OF CANCER PDK2, PDK1, PDK3 CCR2 2975/4885PKM 5/4885BRAF 279/4885
US-20140249150-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 CCR2 1535/4885PKM 11/4885BRAF 459/4885
US-20170007608-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 CCR2 1535/4885PKM 11/4885BRAF 459/4885

“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.