SCHEMBL3371471

SCHEMBL3371471

O=C(O)C(Cc1ccccc1)c1ncon1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.49
CPA1 P15085 3/20 0.47
CYP1A2 P05177 1/20 0.46
EPHX1 P07099 1/20 0.44
CES1 P23141 1/20 0.43
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
SLC7A5 Q01650 1/20 0.43
CPA3 P15088 3/20 0.41
FOLH1 Q04609 2/20 0.41
CPB1 P15086 1/20 0.41
CPB2 Q96IY4 1/20 0.41
SRR Q9GZT4 2/20 0.40
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL17825462 0.80 P4HTM (0.54) P4HTMCPA1CYP1A2EPHX1ALPI
SCHEMBL1888804 0.77 CPA1 (0.53) P4HTMCPA1CYP1A2EPHX1ALPI
SCHEMBL67234 0.71 EPHX1 (0.71) P4HTMCPA1CYP1A2EPHX1ALPI
SCHEMBL599399 0.71 EPHX1 (0.71) P4HTMCPA1CYP1A2EPHX1ALPI
SCHEMBL3079795 0.71 EPHX1 (0.71) P4HTMCPA1CYP1A2EPHX1ALPI
SCHEMBL1127361 0.70 CYP1A2 (0.53) P4HTMCPA1CYP1A2EPHX1ALPI
Hydrochloric Acid SCHEMBL933353 0.70 EPHX1 (0.69) P4HTMCPA1CYP1A2EPHX1ALPI
SCHEMBL11204799 0.68 CPA1 (0.43) P4HTMCPA1CYP1A2EPHX1ALPI
SCHEMBL11551047 0.68 P4HTM (0.46) P4HTMCPA1CYP1A2EPHX1ALPI
SCHEMBL17825496 0.68 CPA1 (0.50) P4HTMCPA1CYP1A2EPHX1ALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 US 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-20100160369-A1 S1P1 Agonists and Methods of Making And Using S1PR1, S1PR5, S1PR3 P4HTM 1938/4885CPA1 380/4885CYP1A2 1401/4885

“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.