SCHEMBL20987793

SCHEMBL20987793

CC(C)C(C)N(C)CCCCNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.57
▸ FOLH1 Q04609 8/20 0.56
▸ F2 P00734 1/20 0.55
▸ PRSS1 P07477 1/20 0.55
▸ PRSS2 P07478 1/20 0.55
▸ PRSS3 P35030 1/20 0.55
▸ TPSAB1 Q15661 1/20 0.55
▸ HSP90AB1 P08238 1/20 0.52
▸ PKM P14618 2/20 0.52
▸ CAPN1 P07384 2/20 0.51
▸ CNR1 P21554 2/20 0.51
▸ PLCD1 P51178 1/20 0.50

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
SCHEMBL18897254 0.93 TDP1 (0.59) TDP1FOLH1F2PRSS1PRSS2
SCHEMBL21443600 0.90 TDP1 (0.60) TDP1FOLH1F2PRSS1PRSS2
SCHEMBL19069181 0.90 TDP1 (0.60) TDP1FOLH1F2PRSS1PRSS2
SCHEMBL12435801 0.90 TDP1 (0.60) TDP1FOLH1F2PRSS1PRSS2
SCHEMBL18737415 0.90 TDP1 (0.60) TDP1FOLH1F2PRSS1PRSS2
SCHEMBL19735728 0.89 TDP1 (0.57) TDP1FOLH1F2PRSS1PRSS2
SCHEMBL22420154 0.87 F2 (0.59) TDP1FOLH1F2PRSS1PRSS2
SCHEMBL19176655 0.87 F2 (0.59) TDP1FOLH1F2PRSS1PRSS2
SCHEMBL19735573 0.87 F2 (0.59) TDP1FOLH1F2PRSS1PRSS2
SCHEMBL18469836 0.87 F2 (0.59) TDP1FOLH1F2PRSS1PRSS2

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-20190135835-A1 MK2 INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-05-09 — — 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-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 TDP1 3334/4885FOLH1 2984/4885F2 3591/4885

“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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