SCHEMBL779077

SCHEMBL779077

Cc1cc(F)c(Oc2ccc3c(c2)OCO3)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
MAPK1 P28482 2/20 0.51
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
NOS2 P35228 2/20 0.42
MAOB P27338 6/20 0.42
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
MAOA P21397 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
SCHEMBL6863046 0.84 MAPK1 (0.51) ALDH1A1MAPK1RAB9ANPC1NOS2
SCHEMBL11990102 0.84 MAPK1 (0.48) ALDH1A1MAPK1RAB9ANPC1MAOB
SCHEMBL13803829 0.84 ALDH1A1 (0.51) ALDH1A1MAPK1RAB9ANPC1NOS2
SCHEMBL11989287 0.84 ALDH1A1 (0.48) ALDH1A1MAPK1RAB9ANPC1NOS2
SCHEMBL778933 0.82 NPC1 (0.50) ALDH1A1MAPK1RAB9ANPC1NOS2
SCHEMBL13604916 0.79 ALDH1A1 (0.43) ALDH1A1MAPK1RAB9ANPC1MAOB
SCHEMBL257873 0.78 ALDH1A1 (0.69) ALDH1A1MAPK1RAB9ANPC1MAOB
SCHEMBL6165864 0.77 ALDH1A1 (0.78) ALDH1A1MAPK1RAB9ANPC1MAOB
SCHEMBL26186440 0.73 AR (0.39) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL14919976 0.73 MAPK1 (0.49) ALDH1A1MAPK1RAB9ANPC1NOS2

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 14 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-8247451-B2 ADAM10 and its uses related to infection VANDERBILT UNIVERSITY (US) 2012-08-21 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
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 ALDH1A1 2454/4885MAPK1 3489/4885RAB9A 2919/4885
US-20120071653-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 ALDH1A1 541/4885MAPK1 1305/4885RAB9A 523/4885
US-20100105953-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 ALDH1A1 541/4885MAPK1 1305/4885RAB9A 523/4885
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 ALDH1A1 2168/4885MAPK1 3097/4885RAB9A 2899/4885
US-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 ALDH1A1 4310/4885MAPK1 2110/4885RAB9A 661/4885
US-20140206865-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 ALDH1A1 541/4885MAPK1 1305/4885RAB9A 523/4885
US-20130144056-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 ALDH1A1 541/4885MAPK1 1305/4885RAB9A 523/4885

“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.