SCHEMBL22630686

SCHEMBL22630686

CCC(=O)[C@H](CCCCNC(=O)CCCCC1SC[C@H]2NC(=O)N[C@@H]12)NC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.68
▸ FOLH1 Q04609 2/20 0.59
▸ CAPN1 P07384 2/20 0.57
▸ CA12 O43570 2/20 0.54
▸ CA1 P00915 2/20 0.54
▸ CA2 P00918 2/20 0.54
▸ CA9 Q16790 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ ABL1 P00519 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ IDE P14735 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ RIN1 Q13671 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ F2 P00734 1/20 0.53
▸ PRSS1 P07477 1/20 0.53
▸ PRSS2 P07478 1/20 0.53
▸ PRSS3 P35030 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
SCHEMBL14960415 0.91 TDP1 (0.69) TDP1FOLH1CAPN1CA12CA1
SCHEMBL16329976 0.90 TDP1 (0.71) TDP1FOLH1CAPN1CA12CA1
SCHEMBL20006677 0.87 TDP1 (0.71) TDP1CAPN1CA12CA1CA2
SCHEMBL24067575 0.86 TDP1 (0.76) TDP1FOLH1CAPN1CA12CA1
SCHEMBL6941477 0.86 TDP1 (0.72) TDP1CAPN1CA12CA1CA2
SCHEMBL8240579 0.86 TDP1 (0.72) TDP1CAPN1CA12CA1CA2
SCHEMBL15949804 0.86 TDP1 (0.72) TDP1FOLH1CAPN1CA12CA1
SCHEMBL17704089 0.86 TDP1 (0.72) TDP1CAPN1CA12CA1CA2
SCHEMBL18779801 0.85 TDP1 (0.78) TDP1FOLH1CAPN1CA12CA1
SCHEMBL14570855 0.85 TDP1 (0.74) TDP1FOLH1CAPN1CA12CA1

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-20200347110-A1 Composition and Methods for Stimulating Gastrointestinal Motility IPSEN PHARMA S.A.S. (FR) 2020-11-05 — — 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-20200347110-A1 Composition and Methods for Stimulating Gastrointestinal Motility GIPR, VIP, GRPR TDP1 4102/4885FOLH1 235/4885CAPN1 2368/4885

“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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