SCHEMBL23137979

SCHEMBL23137979

CCCNC(=O)C(C)CCCCNC(=O)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 2/20 0.46
▸ EPHX1 P07099 3/20 0.44
▸ GNAI3 P08754 1/20 0.44
▸ GNAO1 P09471 1/20 0.44
▸ GNAI1 P63096 1/20 0.44
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ RRM1 P23921 1/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ MMP8 P22894 1/20 0.41
▸ CA1 P00915 2/20 0.40
▸ SIRT6 Q8N6T7 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40
▸ PAOX Q6QHF9 1/20 0.39
▸ ALDH1A2 O94788 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ALDH2 P05091 1/20 0.38
▸ ALDH1A3 P47895 1/20 0.38

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
SCHEMBL23638723 0.95 CYP2D6 (0.44) DPP7EPHX1GNAI3GNAO1GNAI1
SCHEMBL28052076 0.85 GNAI3 (0.58) DPP7EPHX1GNAI3GNAO1GNAI1
SCHEMBL28052266 0.85 GNAI3 (0.58) DPP7EPHX1GNAI3GNAO1GNAI1
SCHEMBL28100557 0.85 GNAI3 (0.58) DPP7EPHX1GNAI3GNAO1GNAI1
SCHEMBL18950344 0.85 EPHX1 (0.52) DPP7EPHX1GNAI3GNAO1GNAI1
SCHEMBL28285001 0.85 GNAI3 (0.58) DPP7EPHX1GNAI3GNAO1GNAI1
SCHEMBL14874696 0.85 GNAI3 (0.58) DPP7EPHX1GNAI3GNAO1GNAI1
SCHEMBL9462535 0.85 DPP7 (0.52) DPP7EPHX1GNAI3GNAO1GNAI1
SCHEMBL21467378 0.83 DPP7 (0.65) DPP7EPHX1GNAI3GNAO1GNAI1
SCHEMBL100593 0.82 — —

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-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF Seal Rock Therapeutics, Inc. 2021-03-25 — — 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-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF ATF1, MAP3K1, ROCK1 DPP7 687/4885EPHX1 921/4885GNAI3 2303/4885

“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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