SCHEMBL18905056

SCHEMBL18905056

CC(C)(C)CCCOCCOCCOCCCNC(=O)CCCCC1SC[C@@H]2NC(=O)N[C@H]12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.61
▸ PRSS1 P07477 1/20 0.61
▸ PRSS2 P07478 1/20 0.61
▸ PRSS3 P35030 1/20 0.61
▸ TPSAB1 Q15661 1/20 0.61
▸ TDP1 Q9NUW8 5/20 0.59
▸ FOLH1 Q04609 3/20 0.58
▸ PKM P14618 3/20 0.57
▸ PLCD1 P51178 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
▸ MEN1 O00255 1/20 0.53
▸ ABL1 P00519 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ IDE P14735 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ RIN1 Q13671 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
SCHEMBL17522651 1.00 F2 (0.61) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19427224 0.92 F2 (0.61) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19427225 0.92 F2 (0.61) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL26707119 0.91 F2 (0.67) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL26210077 0.91 F2 (0.67) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL17703304 0.90 TDP1 (0.68) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL18857630 0.90 F2 (0.61) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL22420070 0.90 F2 (0.61) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL18737547 0.90 F2 (0.61) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL18100982 0.90 F2 (0.61) F2PRSS1PRSS2PRSS3TPSAB1

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-20170152234-A1 COMPOSITIONS AND METHODS FOR QUADRICYCLANE MODIFICATION OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-06-01 — — 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-20170152234-A1 COMPOSITIONS AND METHODS FOR QUADRICYCLANE MODIFICATION OF BIOMOLECULES MYLK2, TOP2A, PYGM F2 499/4885PRSS1 4062/4885PRSS2 3157/4885

“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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