SCHEMBL408215

SCHEMBL408215

O=C(CBr)CCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.53
GSK3B P49841 1/20 0.53
FFAR1 O14842 4/20 0.51
PDPK1 O15530 1/20 0.50
PLAAT3 P53816 1/20 0.49
PLAAT5 Q96KN8 1/20 0.49
PLAAT2 Q9NWW9 1/20 0.49
PLAAT4 Q9UL19 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HRH3 Q9Y5N1 2/20 0.45
MAOB P27338 1/20 0.43
DAO P14920 1/20 0.43
SRD5A2 P31213 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
CNR1 P21554 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL7332151 0.89 FFAR1 (0.57) PTPN1GSK3BFFAR1PDPK1PLAAT3
SCHEMBL1294972 0.82 TAAR1 (0.58) FFAR1PDPK1PLAAT3PLAAT5PLAAT2
SCHEMBL23918813 0.82 IAPP (0.53) FFAR1PDPK1PLAAT3PLAAT5PLAAT2
SCHEMBL17634087 0.81 GSK3B (0.56) PTPN1GSK3BTAAR1HDAC1HDAC8
SCHEMBL7090409 0.81 FFAR1 (0.61) FFAR1PDPK1PLAAT3PLAAT5PLAAT2
SCHEMBL410703 0.79 FFAR1 (0.51) PTPN1FFAR1PLAAT3PLAAT5PLAAT2
SCHEMBL117230 0.79 FFAR1 (0.73) FFAR1PDPK1PLAAT3PLAAT5PLAAT2
SCHEMBL11801516 0.79 FFAR1 (0.55) PTPN1GSK3BFFAR1PDPK1PLAAT3
SCHEMBL24241957 0.78 FFAR1 (0.51) FFAR1PDPK1PLAAT3PLAAT5PLAAT2
SCHEMBL27602690 0.78 PTPN1 (0.57) PTPN1FFAR1PDPK1PLAAT3PLAAT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-8513294-B2 Substituted imidazole derivatives and methods of use thereof for treating cancer OSTA BIOTECHNOLOGIES (CA) 2013-08-20 US disclosed
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEENS UNIVERSITY AT KINGSTON (CA) 2012-01-26 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US disclosed
US-7943650-B2 Methods of treating cancer with imidazolyl compounds OSTA BIOTECHNOLOGIES (CA) 2011-05-17 US disclosed
EP-2173740-A1 HEME-OXYGENASE INHIBITORS AND USE OF THE SAME IN THE TREATMENT OF CANCER AND DISEASES OF THE CENTRAL NERVOUS SYSTEM Osta Biotechnologies (CA) 2010-04-14 EP disclosed
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2009-07-09 US disclosed
WO-2008151437-A1 HEME-OXYGENASE INHIBITORS AND USE OF THE SAME IN THE TREATMENT OF CANCER AND DISEASES OF THE CENTRAL NERVOUS SYSTEM OSTA BIOTECHNOLOGIES (CA) 2008-12-18 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-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System TXNRD2, HMOX1, HMOX2 PTPN1 4289/4885GSK3B 1321/4885FFAR1 4332/4885
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 PTPN1 4507/4885GSK3B 1072/4885FFAR1 4628/4885
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 PTPN1 4507/4885GSK3B 1072/4885FFAR1 4628/4885
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 PTPN1 4290/4885GSK3B 718/4885FFAR1 4608/4885

“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.