SCHEMBL4022595

SCHEMBL4022595

C=CCC(C(=O)O)c1cccc(F)c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.68
CPN1 P15169 2/20 0.45
CPB2 Q96IY4 2/20 0.45
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
CNR2 P34972 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
SLC1A1 P43005 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL13945718 0.86 CYP2C19 (0.49) CYP2C19CPN1CPB2HDAC4HDAC7
SCHEMBL17080066 0.83 CYP2C19 (0.61) CYP2C19CPN1CPB2CES2CES1
SCHEMBL1458050 0.81 CYP2C19 (1.00) CYP2C19CPN1CPB2EPHX1
SCHEMBL666893 0.81 CYP2C19 (1.00) CYP2C19CPN1CPB2EPHX1
SCHEMBL1458057 0.81 CYP2C19 (1.00) CYP2C19CPN1CPB2EPHX1
SCHEMBL14445157 0.81 CYP2C19 (0.68) CYP2C19CPN1CPB2MEN1KMT2A
SCHEMBL17080058 0.81 CYP2C19 (0.68) CYP2C19CPN1CPB2MEN1KMT2A
SCHEMBL4023453 0.81 CYP2C19 (0.68) CYP2C19CPN1CPB2MEN1KMT2A
SCHEMBL7469210 0.81 CYP2C19 (0.73) CYP2C19CPN1CPB2MEN1KMT2A
SCHEMBL4025829 0.81 CYP2C19 (0.62) CYP2C19CPN1CPB2CES2MEN1

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
EP-3116877-A1 CHEMICAL COMPOUNDS ACTING AS PERK INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-01-18 EP disclosed
WO-2015136463-A1 CHEMICAL COMPOUNDS ACTING AS PERK INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-09-17 WO disclosed
WO-2015136463-A1 CHEMICAL COMPOUNDS ACTING AS PERK INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-09-17 WO disclosed
EP-1497265-B1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LTD (GB) 2009-02-18 EP disclosed
EP-1497265-B1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LTD (GB) 2009-02-18 EP disclosed
US-20050203079-A1 Compounds having affinity at 5ht2C receptor and use thereof in therapy GLAXO GROUP LIMITED 2005-09-15 US disclosed
EP-1497265-A1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2005-01-19 EP disclosed
WO-2003089409-A1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2003-10-30 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 (1 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-20050203079-A1 Compounds having affinity at 5ht2C receptor and use thereof in therapy HTR7, HTR2C, HTR3C CYP2C19 245/4885CPN1 1262/4885CPB2 2285/4885

“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.