SCHEMBL16119591

SCHEMBL16119591

Cc1cc(C)cc(Nc2nccs2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.54
SRC P12931 4/20 0.51
ZAP70 P43403 4/20 0.51
SYK P43405 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
RAPGEF4 Q8WZA2 1/20 0.41
ALDH1A1 P00352 4/20 0.40
PKM P14618 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CDK2 P24941 2/20 0.40
LMNA P02545 2/20 0.40
PPIA P62937 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A1 P04798 2/20 0.39
CYP1A2 P05177 2/20 0.39

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
SCHEMBL15577403 0.83 PLA2G7 (0.47) PLA2G7SRCZAP70SYKSMN1; SMN2
SCHEMBL4238370 0.82 PLA2G7 (0.60) PLA2G7SRCZAP70SYKSMN1; SMN2
SCHEMBL5762561 0.81 PLA2G7 (0.58) PLA2G7SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL851128 0.80 PLA2G7 (0.54) PLA2G7SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL11590719 0.80 GAA (0.43) PLA2G7SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL20529581 0.77 PLA2G7 (0.70) PLA2G7SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1369210 0.76 ALDH1A1 (0.50) PLA2G7SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL8906815 0.74 PLA2G7 (0.59) PLA2G7SRCZAP70SYKSMN1; SMN2
SCHEMBL9649038 0.74 PLA2G7 (0.44) PLA2G7SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1091636 0.73 ALDH1A1 (0.58) PLA2G7SMN1; SMN2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10369145-B2 Coumarin derivatives and methods of use in treating hyperproliferative diseases DISCOVERYBIOMED, INC. (US) 2019-08-06 US disclosed
US-9815825-B2 Coumarin derivatives and methods of use in treating cystic fibrosis, chronic obstructive pulmonary disease, and misfolded protein disorders DISCOVERYBIOMED, INC. (US) 2017-11-14 US disclosed
US-9815825-B2 Coumarin derivatives and methods of use in treating cystic fibrosis, chronic obstructive pulmonary disease, and misfolded protein disorders DISCOVERYBIOMED, INC. (US) 2017-11-14 US disclosed
US-20160038475-A1 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING HYPERPROLIFERATIVE DISEASES DISCOVERYBIOMED, INC. (US) 2016-02-11 US disclosed
US-20160038475-A1 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING HYPERPROLIFERATIVE DISEASES DISCOVERYBIOMED, INC. (US) 2016-02-11 US disclosed
US-20160024065-A1 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING CYSTIC FIBROSIS, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, AND MISFOLDED PROTEIN DISORDERS DISCOVERYBIOMED, INC. (US) 2016-01-28 US disclosed
US-20160024065-A1 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING CYSTIC FIBROSIS, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, AND MISFOLDED PROTEIN DISORDERS DISCOVERYBIOMED, INC. (US) 2016-01-28 US disclosed
CN-105246887-A Coumarin derivatives and methods of use in treating hyperproliferative diseases DISCOVERYBIOMED INC 2016-01-13 CN disclosed
CN-105121437-A Coumarin derivatives and methods of use in treating cystic fibrosis, chronic obstructive pulmonary disease, and misfolded protein disorders DISCOVERYBIOMED INC 2015-12-02 CN disclosed
WO-2014152213-A2 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING CYSTIC FIBROSIS, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, AND MISFOLDED PROTEIN DISORDERS DISCOVERYBIOMED, INC. (US) 2014-09-25 WO disclosed
WO-2014152278-A2 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING HYPERPROLIFERATIVE DISEASES DISCOVERYBIOMED, INC. (US) 2014-09-25 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 (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-20160024065-A1 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING CYSTIC FIBROSIS, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, AND MISFOLDED PROTEIN DISORDERS CFTR, SLC47A1, ABCB11 PLA2G7 4229/4885SRC 2432/4885ZAP70 4356/4885
US-10369145-B2 Coumarin derivatives and methods of use in treating hyperproliferative diseases HSP90B1, HSPD1, HSPE1 PLA2G7 2734/4885SRC 451/4885ZAP70 3659/4885
US-20160038475-A1 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING HYPERPROLIFERATIVE DISEASES HSP90B1, HSPD1, HSPE1 PLA2G7 2734/4885SRC 451/4885ZAP70 3659/4885

“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.