SCHEMBL15087472

SCHEMBL15087472

CC(NC(=O)[C@@H](N)C1CCCCC1)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 12/20 0.41
▸ GLS O94925 1/20 0.40
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ MMP2 P08253 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ DPP7 Q9UHL4 4/20 0.37
▸ EPHX1 P07099 1/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ ADAM17 P78536 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36

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
SCHEMBL13201866 0.85 GLS (0.40) DPP4GLSCA12CA1CA2
SCHEMBL31074241 0.81 DPP4 (0.41) DPP4GLSCA2MMP2DPP7
SCHEMBL13275296 0.80 GLS (0.40) DPP4GLSDPP7EPHX1MMP1
SCHEMBL14780646 0.80 GLS (0.40) DPP4GLSDPP7EPHX1MMP1
SCHEMBL29886476 0.79 ALDH1A1 (0.55) DPP4GLSCA12CA1CA2
SCHEMBL418389 0.78 MMP1 (0.38) DPP4GLSCA12CA1CA2
Hydrochloric Acid SCHEMBL15619093 0.77 MMP1 (0.38) DPP4GLSCA12CA1CA2
Hydrochloric Acid SCHEMBL15618895 0.77 MMP1 (0.38) DPP4GLSCA12CA1CA2
Hydrochloric Acid SCHEMBL15618898 0.77 MMP1 (0.38) DPP4GLSCA12CA1CA2
SCHEMBL17814216 0.77 DPP4 (0.55) DPP4GLSCA12CA1CA2

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
US-8871904-B2 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-28 — — US disclosed
US-20140107318-A1 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-04-17 — — US disclosed
US-8637457-B2 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-28 — — US disclosed
US-20130172276-A1 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-04 — — 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 (2 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-20130172276-A1 PROCESSES AND INTERMEDIATES TFPI, SPINT2, SERPINB1 DPP4 69/4885GLS 2355/4885CA12 3420/4885
US-20140107318-A1 PROCESSES AND INTERMEDIATES TFPI, SPINT2, SERPINB1 DPP4 69/4885GLS 2355/4885CA12 3420/4885

“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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