SCHEMBL160399

SCHEMBL160399

Cc1cc(CC(C)C)nc(CC(C)C)c1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 10/20 0.73
NOS3 P29474 6/20 0.73
NOS1 P29475 6/20 0.73
ESR1 P03372 1/20 0.44
IKBKB O14920 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL12250784 0.91 NOS2 (0.63) NOS2NOS3NOS1ESR1IKBKB
SCHEMBL27884616 0.89 NOS2 (0.61) NOS2NOS3NOS1ESR1IKBKB
SCHEMBL12250770 0.89 NOS2 (0.61) NOS2NOS3NOS1ESR1IKBKB
SCHEMBL12250722 0.89 NOS2 (0.66) NOS2NOS3NOS1ESR1IKBKB
SCHEMBL23193450 0.88 NOS2 (0.59) NOS2NOS3NOS1ESR1
SCHEMBL7052362 0.85 NOS2 (1.00) NOS2NOS3NOS1
SCHEMBL12250783 0.82 NOS2 (0.58) NOS2NOS3NOS1ESR1
SCHEMBL12810594 0.80 NOS2 (0.56) NOS2NOS3NOS1ESR1IKBKB
SCHEMBL17069066 0.80 NOS2 (0.56) NOS2NOS3NOS1ESR1IKBKB
SCHEMBL1119955 0.80 NOS2 (0.50) NOS2NOS3NOS1ESR1IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3316889-A1 CORTISTATIN ANALOGUES AND SYNTHESES AND USES THEREOF President and Fellows of Harvard College (US) 2018-05-09 EP disclosed
EP-3294298-A1 CORTISTATIN ANALOGUES, SYNTHESES, AND USES THEREOF President and Fellows of Harvard College (US) 2018-03-21 EP disclosed
EP-3294418-A1 TARGETED SELECTION OF PATIENTS FOR TREATMENT WITH CORTISTATIN DERIVATIVES President and Fellows of Harvard College (US) 2018-03-21 EP disclosed
US-20170224835-A1 Antibody Drug Conjugates SORRENTO THERAPEUTICS, INC. (US) 2017-08-10 US disclosed
US-20170190736-A1 Antibody Drug Conjugates SORRENTO THERAPEUTICS, INC. (US) 2017-07-06 US disclosed
WO-2017004411-A1 CORTISTATIN ANALOGUES AND SYNTHESES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-01-05 WO disclosed
WO-2016182904-A1 TARGETED SELECTION OF PATIENTS FOR TREATMENT WITH CORTISTATIN DERIVATIVES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-17 WO disclosed
WO-2016182932-A1 CORTISTATIN ANALOGUES, SYNTHESES, AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-17 WO disclosed
EP-3087080-A1 CORTISTATIN ANALOGUES AND SYNTHESES AND USES THEREOF President and Fellows of Harvard College (US) 2016-11-02 EP disclosed
WO-2015100420-A1 CORTISTATIN ANALOGUES AND SYNTHESES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-07-02 WO disclosed
WO-2012092512-A2 CATALYTIC ANTI-MARKOVNIKOV OXIDATION AND HYDRATION OF OLEFINS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-07-05 WO disclosed
WO-2010129864-A9 METHODS AND COMPOSITIONS FOR STUDYING, IMAGING, AND TREATING PAIN THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-03-08 WO disclosed
US-20110212998-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
US-20110212998-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2195311-B1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-23 EP disclosed
WO-2009024905-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2009-02-26 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-20170190736-A1 Antibody Drug Conjugates STT3B, STT3A, HSD17B14 NOS2 4440/4885NOS3 3718/4885NOS1 4610/4885
US-20170224835-A1 Antibody Drug Conjugates DARS1, CD38, AADAC NOS2 3985/4885NOS3 3864/4885NOS1 4255/4885
US-20110212998-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 NOS2 2411/4885NOS3 2145/4885NOS1 1194/4885

“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.