SCHEMBL20358288

SCHEMBL20358288

CC(C)C(C)(C(=O)O)C(C#N)C#N

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.36
CTSK P43235 3/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
DPP4 P27487 2/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL283644 0.77 ALDH1A1 (0.44) ALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL5978210 0.75 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL28704882 0.75 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL15632930 0.73 ALDH1A1 (0.36) CTSSCTSKCTSLCTSBDPP4
SCHEMBL16796407 0.73 ALDH1A1 (0.36) CTSSCTSKCTSLCTSBDPP4
SCHEMBL20262433 0.69 ALDH1A1 (0.36) ALDH1A1TSHR
Formamide SCHEMBL28190515 0.67 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL27282597 0.67 CTSS (0.38) CTSSCTSKCTSLCTSBDPP4
SCHEMBL20565192 0.67 DPP4 (0.35) CTSSCTSKCTSLCTSBDPP4
SCHEMBL18730442 0.67 CTSS (0.33) CTSSCTSKCTSLCTSBDPP4

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-20180193343-A1 IMIDAZO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2018-07-12 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-20180193343-A1 IMIDAZO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS PDE3A, PRKG1, PDE2A CTSS 4328/4885CTSK 3932/4885CTSL 4086/4885

“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.