SCHEMBL8738756

SCHEMBL8738756

CCOc1ccc(C(=O)O)cc1Nc1nc(-c2sc(N)nc2C)cs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.62
POLB P06746 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
MEN1 O00255 11/20 0.60
KMT2A Q03164 11/20 0.60
MAPT P10636 9/20 0.60
ALDH1A1 P00352 8/20 0.60
KDM4E B2RXH2 3/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP2D6 P10635 1/20 0.60
GAA P10253 4/20 0.58
HSD17B10 Q99714 2/20 0.58
NPC1 O15118 2/20 0.57
CFTR P13569 1/20 0.55
LMNA P02545 3/20 0.54
RECQL P46063 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53

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
SCHEMBL6114125 0.93 MEN1 (0.60) TDP1POLBL3MBTL1MEN1KMT2A
SCHEMBL8737955 0.92 TRPV4 (0.58) TDP1POLBL3MBTL1MEN1KMT2A
SCHEMBL8738761 0.91 MAPT (0.68) TDP1L3MBTL1MEN1KMT2AMAPT
SCHEMBL6114192 0.89 MEN1 (0.73) TDP1POLBL3MBTL1MEN1KMT2A
SCHEMBL8738397 0.88 MEN1 (0.67) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL8738387 0.87 TDP1 (0.62) TDP1POLBL3MBTL1MEN1KMT2A
SCHEMBL6113947 0.86 MEN1 (0.57) TDP1POLBL3MBTL1MEN1KMT2A
SCHEMBL8739106 0.85 MAPT (0.67) TDP1L3MBTL1MEN1KMT2AMAPT
SCHEMBL8738391 0.84 TDP1 (0.63) TDP1POLBL3MBTL1MEN1KMT2A
SCHEMBL8738407 0.83 TRPV4 (0.69) TDP1L3MBTL1MEN1KMT2AMAPT

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-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
WO-2012068209-A2 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO disclosed
US-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 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-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP9, MMP2 TDP1 1187/4885POLB 1903/4885L3MBTL1 1050/4885

“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.