SCHEMBL3099756

SCHEMBL3099756

Cc1ccc(C#Cc2ccc(NS(C)(=O)=O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CA2 P00918 5/20 0.52
CA1 P00915 4/20 0.52
CA12 O43570 4/20 0.52
CA9 Q16790 4/20 0.52
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
KEAP1 Q14145 1/20 0.50
KIF11 P52732 1/20 0.47
PGR P06401 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
RECQL P46063 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL82733 0.88 CA1 (0.64) HPGDMEN1KMT2ACA2CA1
SCHEMBL11562750 0.86 CA1 (0.61) HPGDMEN1KMT2ACA2CA1
SCHEMBL10193562 0.82 KEAP1 (0.52) HPGDCA2CA1CA12CA9
SCHEMBL4661398 0.82 KIF11 (0.68) HPGDMEN1KMT2ACA2CA1
SCHEMBL12054668 0.78 KEAP1 (0.75) HPGDCA2CA1CA12CA9
SCHEMBL478862 0.78 SMN1; SMN2 (0.47) HPGDCA2CA1CA12CA9
SCHEMBL6696494 0.78 KEAP1 (0.56) HPGDCA2CA1CA12CA9
SCHEMBL3112491 0.77 PGR (0.73) HPGDCA2CA1CA12CA9
SCHEMBL27825435 0.77 HPGD (0.85) HPGDMEN1KMT2ACA2CA1
SCHEMBL19521882 0.77 SMN1; SMN2 (0.46) HPGDCA2CA1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279986-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-11-04 US disclosed
US-7803793-B2 Heterocyclic derived metalloprotease inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-09-28 US disclosed
EP-2089365-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2009-08-19 EP disclosed
US-20080103129-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-01 US disclosed
WO-2008045668-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-17 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 (2 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-20080103129-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS ADAM17, MMP25, ADAM33 HPGD 91/4885MEN1 817/4885KMT2A 1709/4885
US-20100279986-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS ADAM17, MMP25, ADAM33 HPGD 91/4885MEN1 817/4885KMT2A 1709/4885

“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.