SCHEMBL5329154

SCHEMBL5329154

N#CCCCC(C(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.47
TBXAS1 P24557 2/20 0.47
CYP2D6 P10635 1/20 0.41
SRC P12931 1/20 0.41
POLB P06746 1/20 0.41
EPHX1 P07099 1/20 0.40
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CPN1 P15169 1/20 0.39
CPB2 Q96IY4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 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
SCHEMBL7824473 0.91 CYP2C19 (0.49) CYP2C19TBXAS1CYP2D6SRCPOLB
SCHEMBL7824476 0.91 CYP2C19 (0.49) CYP2C19TBXAS1CYP2D6SRCPOLB
SCHEMBL14917860 0.86 EPHX1 (0.53) CYP2C19TBXAS1CYP2D6EPHX1LMNA
SCHEMBL27264382 0.83 CPN1 (0.42) CYP2C19TBXAS1CTSSCTSKCPN1
SCHEMBL27264378 0.83 CPN1 (0.42) CTSSCTSKCPN1CPB2
SCHEMBL14360139 0.83 TBXAS1 (0.60) CYP2C19TBXAS1CYP2D6SRCPOLB
SCHEMBL14917721 0.81 EPHX1 (0.51) CYP2C19TBXAS1CYP2D6EPHX1LMNA
Ammonia Solution, Strong SCHEMBL28556745 0.81 TBXAS1 (0.59) CYP2C19TBXAS1CYP2D6SRCPOLB
Ammonia Solution, Strong SCHEMBL28562956 0.81 TBXAS1 (0.59) CYP2C19TBXAS1CYP2D6SRCPOLB
SCHEMBL30371912 0.80 CYP2C19 (0.61) CYP2C19TBXAS1CYP2D6SRCPOLB

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 3902/4885TBXAS1 864/4885CYP2D6 3256/4885

“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.