SCHEMBL13611748

SCHEMBL13611748

CCS(=O)(=O)Cc1ccc(OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
PLCG1 P19174 1/20 0.53
APLNR P35414 2/20 0.52
MEN1 O00255 2/20 0.51
CRBN Q96SW2 1/20 0.49
IDO1 P14902 2/20 0.48
PKM P14618 1/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
HTT P42858 1/20 0.47
CA5A P35218 1/20 0.47
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA7 P43166 1/20 0.46
CMA1 P23946 1/20 0.46
AGXT P21549 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
SCHEMBL2717301 0.91 KMT2A (0.57) KMT2APLCG1APLNRMEN1CRBN
SCHEMBL3237393 0.89 KMT2A (0.55) KMT2APLCG1APLNRMEN1CRBN
SCHEMBL3237396 0.89 PKM (0.56) KMT2APLCG1APLNRMEN1CRBN
Hydrochloric Acid SCHEMBL27633192 0.89 KMT2A (0.55) KMT2APLCG1APLNRMEN1CRBN
SCHEMBL30496480 0.89 PKM (0.56) KMT2APLCG1APLNRMEN1CRBN
SCHEMBL14426921 0.86 KMT2A (0.50) KMT2APLCG1APLNRMEN1CRBN
SCHEMBL17230509 0.82 KMT2A (0.50) KMT2APLCG1APLNRMEN1CRBN
SCHEMBL294919 0.81 APLNR (0.53) KMT2APLCG1APLNRIDO1PKM
SCHEMBL2377998 0.81 APLNR (0.58) KMT2APLCG1APLNRIDO1PKM
SCHEMBL21316546 0.81 MMP13 (0.46) KMT2AAPLNRMEN1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474545-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2016-11-09 EP disclosed
EP-2426129-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2016-11-02 EP disclosed
EP-2455382-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2016-10-26 EP disclosed
US-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME UNIVERSITY OF NORTHERN BRITISH COLUMBIA (CA) 2009-12-24 US disclosed
US-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-10-04 US disclosed
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 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-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE KMT2A 4623/4885PLCG1 1369/4885APLNR 2415/4885
US-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE KMT2A 4623/4885PLCG1 1369/4885APLNR 2415/4885
US-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME CBR3, XDH, NQO2 KMT2A 4371/4885PLCG1 3096/4885APLNR 2240/4885

“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.