SCHEMBL2482828

SCHEMBL2482828

CC(C(=O)O)C1CCCO1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.43
HPGD P15428 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 2/20 0.41
POLB P06746 2/20 0.40
HSD17B10 Q99714 1/20 0.40
SLC6A3 Q01959 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL2482835 1.00 RAB9A (0.43) RAB9AHPGDL3MBTL1GAAPOLB
SCHEMBL2482831 1.00 RAB9A (0.43) RAB9AHPGDL3MBTL1GAAPOLB
SCHEMBL17074314 0.94 SLC6A3 (0.45) RAB9AHPGDL3MBTL1GAAPOLB
SCHEMBL536802 0.81 HPGD (0.39) RAB9AHPGDL3MBTL1GAAPOLB
SCHEMBL18281723 0.80 HPGD (0.40) RAB9AHPGDL3MBTL1GAAPOLB
SCHEMBL17870819 0.80 HPGD (0.40) RAB9AHPGDL3MBTL1GAAPOLB
SCHEMBL11851506 0.78 MEN1 (0.41) RAB9AHPGDL3MBTL1GAAPOLB
Acetic Acid SCHEMBL7279012 0.78 RAB9A (0.39) RAB9AHPGDL3MBTL1GAAPOLB
SCHEMBL4411156 0.77 SMN1; SMN2 (0.42) RAB9AHPGDL3MBTL1GAAPOLB
SCHEMBL4357915 0.77 KMT2A (0.40) RAB9AHPGDL3MBTL1GAAPOLB

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10815212-B2 Cytotoxin compounds and methods of isolation UNIVERSITY OF SOUTH FLORIDA (US) 2020-10-27 US disclosed
CN-106536489-B Retinoid-related orphan receptor gamma modulators and uses thereof 葛兰素史密斯克莱知识产权发展有限公司 2020-02-07 CN disclosed
EP-3148975-B1 PIPERAZINE DERIVATIVES AS ROR-GAMMA MODULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2018-11-28 EP disclosed
US-9902735-B2 Heteroaryl substituted compounds as RORγ inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-02-27 US disclosed
US-9902735-B2 Heteroaryl substituted compounds as RORγ inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-02-27 US disclosed
US-9902735-B2 Heteroaryl substituted compounds as RORγ inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-02-27 US disclosed
US-20170197978-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-07-13 US disclosed
US-20170197978-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-07-13 US disclosed
US-20170197978-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-07-13 US disclosed
EP-3148975-A1 NOVEL COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-04-05 EP disclosed
WO-2015092575-A1 GENE CLUSTER FOR BIOSYNTHESIS OF PAMAMYCIN BASF SE (DE) 2015-06-25 WO disclosed
US-20140194495-A1 CYTOTOXIN COMPOUNDS AND METHODS OF ISOLATION THE UAB RESEARCH FOUNDATION (US) 2014-07-10 US disclosed
US-8669376-B2 Cytotoxin compounds and methods of isolation UNIVERSITY OF SOUTH FLORIDA (US) 2014-03-11 US disclosed
EP-2013337-B1 A GROUP OF ESTERASES FOR THE ENANTIOSELECTIVE PRODUCTION OF FINE AND SPECIALITY CHEMICALS BRAIN BIOTECHNOLOGY RES & INFORMATION NETWORK AG (DE) 2013-03-27 EP disclosed
EP-2385109-A2 A group of esterases for the enantioselective production of fine and speciality chemicals B.R.A.I.N. Biotechnology Research And Information Network AG (DE) 2011-11-09 EP disclosed
EP-2377930-A1 A group of esterases for the enantioselective production of fine and speciality chemicals B.R.A.I.N. Biotechnology Research And Information Network AG (DE) 2011-10-19 EP disclosed
US-20090311745-A1 GROUP OF ESTERASES FOR THE ENANTIOSELECTIVE PRODUCTION OF FINE AND SPECIALITY CHEMICALS B.R.A.I.N AG (DE) 2009-12-17 US disclosed
US-20090192215-A1 Cytotoxin Compounds and Methods of Isolation UNIVERSITY OF SOUTH FLORIDA (US) 2009-07-30 US disclosed
EP-1934196-A2 CYTOTOXIN COMPOUNDS AND METHODS OF ISOLATION University of South Florida (US) 2008-06-25 EP disclosed
WO-2007035734-A2 CYTOTOXIN COMPOUNDS AND METHODS OF ISOLATION UNIVERSITY OF SOUTH FLORIDA (US) 2007-03-29 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 (4 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-20170197978-A1 NOVEL COMPOUNDS RORC, RORB, RORA RAB9A 1240/4885HPGD 2450/4885L3MBTL1 3289/4885
US-20140194495-A1 CYTOTOXIN COMPOUNDS AND METHODS OF ISOLATION XPA, ANXA5, ST14 RAB9A 1710/4885HPGD 3481/4885L3MBTL1 1728/4885
US-20090192215-A1 Cytotoxin Compounds and Methods of Isolation XPA, ANXA5, ST14 RAB9A 1710/4885HPGD 3481/4885L3MBTL1 1728/4885
US-10815212-B2 Cytotoxin compounds and methods of isolation XPA, ANXA5, ST14 RAB9A 1710/4885HPGD 3481/4885L3MBTL1 1728/4885

“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.