SCHEMBL18501099

SCHEMBL18501099

NC(=O)CCCCCNC(=O)CCCC[C@H]1[C@H]2NC(=O)N[C@H]2CS1(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.48
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
PLCD1 P51178 1/20 0.40
TPSAB1 Q15661 2/20 0.40
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
FOLH1 Q04609 2/20 0.38
CAPN1 P07384 2/20 0.38
FGF1 P05230 1/20 0.37
FGF2 P09038 1/20 0.37
VEGFA P15692 1/20 0.37
HPSE Q9Y251 1/20 0.37
CNR1 P21554 2/20 0.36

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
SCHEMBL13080217 0.93 TDP1 (0.48) TDP1CA12CA1CA2CA9
SCHEMBL13049592 0.93 TDP1 (0.48) TDP1CA12CA1CA2CA9
SCHEMBL3758250 0.93 TDP1 (0.48) TDP1CA12CA1CA2CA9
SCHEMBL13049465 0.93 TDP1 (0.48) TDP1CA12CA1CA2CA9
SCHEMBL19751702 0.91 TDP1 (0.48) TDP1CA12CA1CA2CA9
SCHEMBL4965653 0.91 TDP1 (0.48) TDP1CA12CA1CA2CA9
SCHEMBL4962526 0.89 TDP1 (0.50) TDP1CA12CA1CA2CA9
SCHEMBL3758247 0.85 TDP1 (0.42) TDP1CA1CA2PLCD1TPSAB1
SCHEMBL20123249 0.85 TDP1 (0.42) TDP1CA1CA2PLCD1TPSAB1
SCHEMBL13049595 0.85 TDP1 (0.42) TDP1CA1CA2PLCD1TPSAB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731982-B2 Biotin derivatives Life Technologies Corporation 2023-08-22 US disclosed
US-20190322681-A1 Biotin Derivatives LIFE TECHNOLOGIES AS (NO) 2019-10-24 US disclosed
US-20170174700-A1 Biotin Derivatives Life Technologies Corporation 2017-06-22 US disclosed
US-9567346-B2 Biotin derivatives Life Technologies Corporation (US) 2017-02-14 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 (3 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-11731982-B2 Biotin derivatives BTD, HLCS, BRI3BP TDP1 4350/4885CA12 4197/4885CA1 4859/4885
US-20190322681-A1 Biotin Derivatives BTD, HLCS, BRI3BP TDP1 4350/4885CA12 4197/4885CA1 4859/4885
US-20170174700-A1 Biotin Derivatives BTD, HLCS, BRI3BP TDP1 4350/4885CA12 4197/4885CA1 4859/4885

“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.