SCHEMBL13275296

SCHEMBL13275296

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 1/20 0.40
▸ DPP4 P27487 10/20 0.39
▸ EPHX1 P07099 2/20 0.39
▸ SHBG P04278 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ METAP2 P50579 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ DPP7 Q9UHL4 2/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP8 P22894 1/20 0.34
▸ ADAM17 P78536 1/20 0.34
▸ RRM1 P23921 1/20 0.34
▸ RRM2 P31350 1/20 0.34
▸ RRM2B Q7LG56 1/20 0.34

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
SCHEMBL14780646 1.00 GLS (0.40) GLSDPP4EPHX1SHBGTSHR
SCHEMBL13201866 0.81 GLS (0.40) GLSDPP4EPHX1DPP7
SCHEMBL15087472 0.80 DPP4 (0.41) GLSDPP4EPHX1DPP7MMP1
SCHEMBL31074241 0.77 DPP4 (0.41) GLSDPP4ALDH1A1DPP7MMP1
SCHEMBL764548 0.75 GLS (0.47) GLSDPP4EPHX1TSHRKDM4E
SCHEMBL418389 0.75 MMP1 (0.38) GLSDPP4TSHRALDH1A1MMP1
Hydrochloric Acid SCHEMBL15618896 0.74 GLS (0.37) GLSDPP4EPHX1TSHRMETAP2
SCHEMBL23394511 0.74 EPHX1 (0.40) GLSDPP4EPHX1SHBGMETAP2
Hydrochloric Acid SCHEMBL15618898 0.74 MMP1 (0.38) GLSDPP4TSHRALDH1A1MMP1
Hydrochloric Acid SCHEMBL15619093 0.74 MMP1 (0.38) GLSDPP4TSHRALDH1A1MMP1

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-20100174077-A1 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-08 — — US disclosed
US-20100063252-A1 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED 2010-03-11 — — 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-20100063252-A1 PROCESSES AND INTERMEDIATES TFPI, SPINT2, SERPINB1 GLS 2355/4885DPP4 69/4885EPHX1 724/4885
US-20100174077-A1 Processes and intermediates TFPI, SPINT2, SERPINB1 GLS 2355/4885DPP4 69/4885EPHX1 724/4885

“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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