SCHEMBL3622089

SCHEMBL3622089

O=C(CCCCCNC(=O)CCCCC1SC[C@@H]2NC(=O)N[C@H]12)NCCCCCC(=O)ON1C(=O)CC(S(=O)(=O)O)C1=O.[NaH]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.54
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
PLCD1 P51178 1/20 0.49
CNR1 P21554 3/20 0.48
FGF1 P05230 1/20 0.48
FGF2 P09038 1/20 0.48
VEGFA P15692 1/20 0.48
HPSE Q9Y251 1/20 0.48
CNR2 P34972 2/20 0.47
F2 P00734 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
TPSAB1 Q15661 1/20 0.47
FOLH1 Q04609 2/20 0.47
ITGB1 P05556 1/20 0.46
ITGA4 P13612 1/20 0.46

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
SCHEMBL14417100 0.99 TDP1 (0.55) TDP1CA12CA1CA2CA9
SCHEMBL4455260 0.99 TDP1 (0.55) TDP1CA12CA1CA2CA9
SCHEMBL6033324 0.99 TDP1 (0.55) TDP1CA12CA1CA2CA9
SCHEMBL179912 0.99 TDP1 (0.55) TDP1CA12CA1CA2CA9
SCHEMBL12569327 0.99 TDP1 (0.55) TDP1CA12CA1CA2CA9
SCHEMBL18780618 0.99 TDP1 (0.55) TDP1CA12CA1CA2CA9
Biotin SCHEMBL1039790 0.96 TDP1 (0.54) TDP1CA12CA1CA2CA9
SCHEMBL20537344 0.94 TDP1 (0.55) TDP1CA12CA1CA2CA9
SCHEMBL1549117 0.93 TDP1 (0.57) TDP1CA12CA1CA2CA9
SCHEMBL565520 0.92 TDP1 (0.53) TDP1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846053-B2 Orally bioavailable lipid-based constructs SDG, INC. (US) 2014-09-30 US disclosed
US-20100310599-A1 Orally Bioavailable Lipid-Based Constructs SDG, INC. 2010-12-09 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-20100310599-A1 Orally Bioavailable Lipid-Based Constructs FABP2, LIPC, FABP6 TDP1 4650/4885CA12 1226/4885CA1 2890/4885

“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.