SCHEMBL21101042

SCHEMBL21101042

CC(=O)CCCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCCCC1SCC2NC(=O)NC21

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 7/20 0.70
▸ F2 P00734 1/20 0.66
▸ PRSS1 P07477 1/20 0.66
▸ PRSS2 P07478 1/20 0.66
▸ PRSS3 P35030 1/20 0.66
▸ TPSAB1 Q15661 1/20 0.66
▸ PKM P14618 2/20 0.62
▸ TDP1 Q9NUW8 3/20 0.62
▸ HSP90AB1 P08238 1/20 0.61
▸ PLCD1 P51178 1/20 0.55
▸ GBA1 P04062 1/20 0.54
▸ MDK P21741 1/20 0.53
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA9 Q16790 1/20 0.53

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
SCHEMBL26554648 0.95 F2 (0.69) FOLH1F2PRSS1PRSS2PRSS3
SCHEMBL20809503 0.95 F2 (0.69) FOLH1F2PRSS1PRSS2PRSS3
SCHEMBL16342339 0.95 F2 (0.69) FOLH1F2PRSS1PRSS2PRSS3
SCHEMBL27016018 0.95 F2 (0.69) FOLH1F2PRSS1PRSS2PRSS3
SCHEMBL23652847 0.92 F2 (0.63) FOLH1F2PRSS1PRSS2PRSS3
SCHEMBL16072325 0.92 F2 (0.63) FOLH1F2PRSS1PRSS2PRSS3
SCHEMBL27015699 0.91 F2 (0.69) FOLH1F2PRSS1PRSS2PRSS3
SCHEMBL17039697 0.91 F2 (0.71) FOLH1F2PRSS1PRSS2PRSS3
SCHEMBL4968230 0.91 F2 (0.73) FOLH1F2PRSS1PRSS2PRSS3
SCHEMBL19751698 0.91 F2 (0.73) FOLH1F2PRSS1PRSS2PRSS3

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-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-06-25 — — 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-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK FOLH1 4659/4885F2 2241/4885PRSS1 2658/4885

“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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