SCHEMBL3585207

SCHEMBL3585207

CCc1cc(-c2cccs2)nc(OCc2ccc(C(=O)OCC(N)(CO)CO)cc2)c1C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.40
▸ TSHR P16473 2/20 0.40
▸ TNFRSF1A P19438 2/20 0.38
▸ ADORA2A P29274 4/20 0.35
▸ ADORA3 P0DMS8 3/20 0.35
▸ ADORA1 P30542 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ CASP1 P29466 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ BRCA1 P38398 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ HBB P68871 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ SDHB P21912 1/20 0.34

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 SCHEMBL3585206 0.89 TNFRSF1A (0.40) MAPTTSHRTNFRSF1AADORA2AADORA3
SCHEMBL3585430 0.88 TNFRSF1A (0.36) MAPTTSHRTNFRSF1AADORA2AADORA3
SCHEMBL3598526 0.87 MAPT (0.42) MAPTTSHRTNFRSF1AADORA2AADORA3
SCHEMBL3584180 0.85 HPGDS (0.44) MAPTTSHRTNFRSF1AADORA2AADORA3
SCHEMBL3590068 0.83 TNFRSF1A (0.36) MAPTTSHRTNFRSF1AADORA2AADORA3
Tromethamine SCHEMBL3585426 0.77 TNFRSF1A (0.38) MAPTTSHRTNFRSF1AADORA2AADORA3
SCHEMBL3591933 0.75 MAPT (0.40) MAPTADORA2AADORA3ADORA1KDM4E
SCHEMBL3586048 0.73 TOP1 (0.48) MAPTTSHRTNFRSF1AADORA2AADORA1
SCHEMBL3581931 0.73 HPGDS (0.41) MAPTTNFRSF1AADORA2AADORA3ADORA1
SCHEMBL3594101 0.72 MEN1 (0.45) MAPTADORA2AADORA3ADORA1ALDH1A1

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 MAPT 3484/4885TSHR 4692/4885TNFRSF1A 3388/4885

“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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