SCHEMBL4022897

SCHEMBL4022897

C=CCC(C(=O)O)c1ccc(CF)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.67
PTGS2 P35354 6/20 0.47
PTGS1 P23219 5/20 0.47
CPN1 P15169 1/20 0.37
CPB2 Q96IY4 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
FFAR2 O15552 1/20 0.36
CYP2C9 P11712 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
ESR1 P03372 3/20 0.34
LMNA P02545 2/20 0.34
AKR1C3 P42330 2/20 0.34
CXCR1 P25024 2/20 0.34
CXCR2 P25025 2/20 0.34
ESR2 Q92731 2/20 0.34
POLB P06746 2/20 0.34
ALB P02768 1/20 0.34

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
SCHEMBL7428147 0.83 CYP2C19 (0.67) CYP2C19PTGS2PTGS1CPN1CPB2
SCHEMBL4265668 0.83 CYP2C19 (0.71) CYP2C19PTGS2PTGS1CPN1CPB2
SCHEMBL960592 0.83 CYP2C19 (0.71) CYP2C19PTGS2PTGS1CPN1CPB2
SCHEMBL11077670 0.81 CYP2C19 (0.73) CYP2C19PTGS2PTGS1CPN1CPB2
SCHEMBL5879152 0.81 CYP2C19 (0.73) CYP2C19PTGS2PTGS1CPN1CPB2
SCHEMBL1458050 0.80 CYP2C19 (1.00) CYP2C19CPN1CPB2L3MBTL1ALDH1A1
SCHEMBL666893 0.80 CYP2C19 (1.00) CYP2C19CPN1CPB2L3MBTL1ALDH1A1
SCHEMBL1458057 0.80 CYP2C19 (1.00) CYP2C19CPN1CPB2L3MBTL1ALDH1A1
SCHEMBL21561158 0.79 CYP2C19 (0.71) CYP2C19CPN1CPB2FFAR2CYP2C9
SCHEMBL19803299 0.79 CYP2C19 (0.71) CYP2C19CPN1CPB2FFAR2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 245/4885PTGS2 1955/4885PTGS1 1743/4885

“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.