SCHEMBL5330378

SCHEMBL5330378

NC(=O)CCCC(C(=O)O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.49
EPHX1 P07099 1/20 0.49
TBXAS1 P24557 2/20 0.48
CYP2D6 P10635 2/20 0.44
CYP1A2 P05177 1/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CPN1 P15169 3/20 0.44
CPB2 Q96IY4 3/20 0.44
SLC6A3 Q01959 3/20 0.43
DRD3 P35462 2/20 0.43
LMNA P02545 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
EDNRB P24530 1/20 0.43
MAPK1 P28482 1/20 0.43
MC4R P32245 1/20 0.43
MC3R P41968 1/20 0.43
DRD2 P14416 1/20 0.43
SRC P12931 1/20 0.42

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
SCHEMBL5323653 0.91 CYP2C19 (0.50) CYP2C19EPHX1TBXAS1CYP2D6CYP1A2
SCHEMBL1061595 0.89 EPHX1 (0.58) CYP2C19EPHX1TBXAS1CYP2D6CYP1A2
SCHEMBL2878605 0.87 CYP2C19 (0.50) CYP2C19TBXAS1CYP2D6CYP1A2SMN1; SMN2
SCHEMBL14360139 0.84 TBXAS1 (0.60) CYP2C19EPHX1TBXAS1CYP2D6CPN1
SCHEMBL1065526 0.84 EPHX1 (0.56) CYP2C19EPHX1TBXAS1CYP2D6CYP1A2
SCHEMBL22612300 0.84 CYP2C19 (0.47) CYP2C19EPHX1TBXAS1CYP2D6CPN1
SCHEMBL3781893 0.83 HRH1 (0.59) CYP2C19EPHX1TBXAS1CYP2D6CPN1
SCHEMBL4219820 0.82 HRH1 (0.57) CYP2C19TBXAS1CYP2D6CYP1A2PKM
Ammonia Solution, Strong SCHEMBL28556745 0.82 TBXAS1 (0.59) CYP2C19EPHX1TBXAS1CYP2D6CPN1
Ammonia Solution, Strong SCHEMBL28562956 0.82 TBXAS1 (0.59) CYP2C19EPHX1TBXAS1CYP2D6CPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070287699-A1 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-12-13 US disclosed
WO-2007130499-A2 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-11-15 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-20070287699-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 CYP2C19 3902/4885EPHX1 2921/4885TBXAS1 864/4885

“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.