SCHEMBL15636818

SCHEMBL15636818

CCOc1cc(C(=O)NC(CC(=O)O)c2ccc(F)cc2)nn1-c1ccccc1F

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 19/20 0.77
▸ CYP3A4 P08684 3/20 0.77
▸ MME P08473 2/20 0.65
▸ PTGS2 P35354 1/20 0.47

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
SCHEMBL15637640 0.95 CTSA (0.81) CTSACYP3A4MMEPTGS2
SCHEMBL15635745 0.94 CTSA (0.79) CTSACYP3A4MME
SCHEMBL15636911 0.93 CTSA (0.75) CTSACYP3A4MMEPTGS2
SCHEMBL15636993 0.91 CTSA (0.73) CTSACYP3A4MMEPTGS2
SCHEMBL15637043 0.91 CTSA (0.65) CTSACYP3A4MME
SCHEMBL15635752 0.91 CTSA (0.75) CTSACYP3A4MME
SCHEMBL15636707 0.91 CTSA (0.72) CTSACYP3A4MMEPTGS2
SCHEMBL15635907 0.90 CTSA (0.88) CTSACYP3A4MME
SCHEMBL14696191 0.89 CTSA (0.62) CTSACYP3A4MME
SCHEMBL2321883 0.89 CTSA (0.62) CTSACYP3A4MME

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
WO-2014053533-A1 USE OF SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AS PHARMACEUTICALS FOR PREVENTION/TREATMENT OF ATRIAL FIBRILLATION SANOFI (FR) 2014-04-10 — — WO disclosed
US-20100121004-A1 PURIFICATION PROCESS FOR SEMICONDUCTING MONOMERS XEROX CORPORATION (US) 2010-05-13 — — 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-20100121004-A1 PURIFICATION PROCESS FOR SEMICONDUCTING MONOMERS TERT, ADH1A, PCNA CTSA 3991/4885CYP3A4 748/4885MME 3664/4885

“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.

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