SCHEMBL3590068

SCHEMBL3590068

CC(C)c1cc(-c2cccs2)nc(OCc2ccc(C(=O)OCC(N)(CO)CO)cc2)c1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNFRSF1A P19438 2/20 0.36
▸ MAPT P10636 10/20 0.35
▸ TSHR P16473 2/20 0.35
▸ RET P07949 1/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ HDAC1 Q13547 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ HPGD P15428 3/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ PKM P14618 1/20 0.32

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
Tromethamine SCHEMBL3590066 0.89 TNFRSF1A (0.39) TNFRSF1AMAPTTSHRRETSIRT2
SCHEMBL3592169 0.88 MAPT (0.40) MAPTRETSIRT2HPGDSHPGD
SCHEMBL3585765 0.86 HPGDS (0.42) TNFRSF1AMAPTRETSIRT2HPGDS
SCHEMBL3585207 0.83 MAPT (0.40) TNFRSF1AMAPTTSHRPOLBHPGD
SCHEMBL3585430 0.81 TNFRSF1A (0.36) TNFRSF1AMAPTTSHRHDAC1POLB
SCHEMBL3586048 0.74 TOP1 (0.48) TNFRSF1AMAPTTSHRPOLBHPGD
Tromethamine SCHEMBL3585206 0.72 TNFRSF1A (0.40) TNFRSF1AMAPTTSHRHPGDSHPGD
Tromethamine SCHEMBL3585426 0.71 TNFRSF1A (0.38) TNFRSF1AMAPTTSHRHDAC1HPGDS
SCHEMBL3598526 0.69 MAPT (0.42) TNFRSF1AMAPTTSHRHPGDKDM4E
SCHEMBL3591933 0.68 MAPT (0.40) MAPTHDAC1HPGDKDM4EALDH1A1

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-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 — — 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 (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-20100009973-A1 Integrase Inhibitors 3 TYMP, IMPDH1, IMPDH2 TNFRSF1A 3388/4885MAPT 3484/4885TSHR 4692/4885

“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.

Send feedback