SCHEMBL778933

SCHEMBL778933

Cc1ccc(Oc2ccc3c(c2)OCO3)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 1/20 0.49
NOS2 P35228 2/20 0.47
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.40
MAOB P27338 4/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
CASP1 P29466 1/20 0.39
HBB P68871 1/20 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
SCHEMBL15597020 0.82 MAPK1 (0.49) NPC1RAB9AALDH1A1MAPK1NOS2
SCHEMBL22069606 0.82 MAPK1 (0.65) NPC1RAB9AALDH1A1MAPK1NOS2
SCHEMBL779077 0.82 ALDH1A1 (0.51) NPC1RAB9AALDH1A1MAPK1NOS2
SCHEMBL14997972 0.82 ALDH1A1 (0.49) NPC1RAB9AALDH1A1MAPK1NOS2
SCHEMBL11989261 0.82 ALDH1A1 (0.46) NPC1RAB9AALDH1A1MAPK1NOS2
SCHEMBL11990098 0.82 NPC1 (0.47) NPC1RAB9AALDH1A1MAPK1NOS2
SCHEMBL257873 0.79 ALDH1A1 (0.69) NPC1RAB9AALDH1A1MAPK1MAPT
SCHEMBL6897658 0.79 ALDH1A1 (0.58) NPC1RAB9AALDH1A1MAPK1NOS2
SCHEMBL12238989 0.79 ROCK2 (0.54) NPC1RAB9AALDH1A1MAPK1NOS2
SCHEMBL12808357 0.78 KMT2A (0.42) NPC1RAB9AALDH1A1MAPK1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140206865-A1 Human Adam-10 Inhibitors SYMPHONY EVOLUTION, INC. (US) 2014-07-24 US disclosed
US-20140206865-A1 Human Adam-10 Inhibitors SYMPHONY EVOLUTION, INC. (US) 2014-07-24 US disclosed
US-20130144056-A1 Human Adam-10 Inhibitors SYMPHONY EVOLUTION, INC. (US) 2013-06-06 US disclosed
US-20130144056-A1 Human Adam-10 Inhibitors SYMPHONY EVOLUTION, INC. (US) 2013-06-06 US disclosed
US-20120270884-A1 Methods of Treating Aneurysmal Dilatation, Blood Vessel Wall Weakness and Specifically Abdominal Aortic and Thoracic Aneurysm Using Matrix Metalloprotease-2 Inhibitors SYMPHONY EVOLUTION, INC. (US) 2012-10-25 US disclosed
US-20120270884-A1 Methods of Treating Aneurysmal Dilatation, Blood Vessel Wall Weakness and Specifically Abdominal Aortic and Thoracic Aneurysm Using Matrix Metalloprotease-2 Inhibitors SYMPHONY EVOLUTION, INC. (US) 2012-10-25 US disclosed
US-8247451-B2 ADAM10 and its uses related to infection VANDERBILT UNIVERSITY (US) 2012-08-21 US disclosed
US-20120071653-A1 Human Adam-10 Inhibitors SYMPHONY EVOLUTION, INC. (US) 2012-03-22 US disclosed
US-7989661-B2 Human ADAM-10 inhibitors SYMPHONY EVOLUTION, INC. (US) 2011-08-02 US disclosed
US-20110082114-A1 Methods of Treating Aneurysmal Dilatation, Blood Vessel Wall Weakness and Specifically Abdominal Aortic and Thoracic Aneurysm Using Matrix Metalloprotease-2 Inhibitors SYMPHONY EVOLUTION, INC. (US) 2011-04-07 US disclosed
US-20100105953-A1 Human Adam-10 Inhibitors SYMPHONY EVOLUTION, INC. (US) 2010-04-29 US disclosed
US-7629341-B2 e.g. N1-hydroxy-N2-[(4-phenoxyphenyl)sulfonyl]-D-argininamide; metallopeptidase inhibitor; antiinflammation, anticarcinogenic, antidiabetic agent; angiogenesis inhibitor; atherosclerosis, stroke, ulcer, infertility, scleroderma, endometriosis, mesothelioma SYMPHONY EVOLUTION, INC. (US) 2009-12-08 US disclosed
US-20090220514-A1 ADAM10 and its Uses Related to Infection VANDERBILT UNIVERSITY 2009-09-03 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 (7 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-20120270884-A1 Methods of Treating Aneurysmal Dilatation, Blood Vessel Wall Weakness and Specifically Abdominal Aortic and Thoracic Aneurysm Using Matrix Metalloprotease-2 Inhibitors ADAM10, ADAM17, ADAM12 NPC1 4531/4885RAB9A 2919/4885ALDH1A1 2454/4885
US-20120071653-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 NPC1 1431/4885RAB9A 523/4885ALDH1A1 541/4885
US-20100105953-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 NPC1 1431/4885RAB9A 523/4885ALDH1A1 541/4885
US-20110082114-A1 Methods of Treating Aneurysmal Dilatation, Blood Vessel Wall Weakness and Specifically Abdominal Aortic and Thoracic Aneurysm Using Matrix Metalloprotease-2 Inhibitors ADAM10, ADAM17, ADAM12 NPC1 4456/4885RAB9A 2899/4885ALDH1A1 2168/4885
US-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 NPC1 2394/4885RAB9A 661/4885ALDH1A1 4310/4885
US-20140206865-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 NPC1 1431/4885RAB9A 523/4885ALDH1A1 541/4885
US-20130144056-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 NPC1 1431/4885RAB9A 523/4885ALDH1A1 541/4885

“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.