SCHEMBL6135027

SCHEMBL6135027

CCCCC(OC)Oc1cccc(-c2nn3cc(-c4ccc(C(=O)OCC)cc4)nc3s2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.41
MAPT P10636 5/20 0.41
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
DCTPP1 Q9H773 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.36
F2RL3 Q96RI0 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
RECQL P46063 1/20 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
Trifluoroacetic Acid SCHEMBL7319226 0.82 MAPT (0.42) TP53MAPTCA12CA1CA2
SCHEMBL7320722 0.77 PTPN11 (0.51) TP53MAPTCA12CA1CA2
SCHEMBL7317639 0.76 CA12 (0.51) TP53MAPTCA12CA1CA2
SCHEMBL6132534 0.75 TP53 (0.50) TP53MAPTCA12CA1CA2
Trifluoroacetic Acid SCHEMBL7316392 0.74 TP53 (0.47) TP53MAPTCA12CA1CA2
Trifluoroacetic Acid SCHEMBL6539243 0.74 TP53 (0.56) TP53MAPTCA12CA1CA2
Trifluoroacetic Acid SCHEMBL6538606 0.73 TP53 (0.47) TP53MAPTCA12CA1CA2
Trifluoroacetic Acid SCHEMBL7323795 0.73 CA12 (0.56) TP53MAPTCA12CA1CA2
Trifluoroacetic Acid SCHEMBL6134936 0.70 SIRT2 (0.39) TP53MAPTCA12CA1CA2
Trifluoroacetic Acid SCHEMBL6538546 0.70 MAPT (0.53) TP53MAPTCA12CA1CA2

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-20050261177-A1 Compound ASTELLAS PHARMA INC. (JP) 2005-11-24 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-20050261177-A1 Compound MANBA, MAN2B1, MAN2A1 TP53 3972/4885MAPT 1629/4885CA12 3234/4885

“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.