SCHEMBL3585430

SCHEMBL3585430

CC(=O)c1c(C2CC2)cc(-c2cccs2)nc1OCc1ccc(C(=O)OCC(N)(CO)CO)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNFRSF1A P19438 2/20 0.36
▸ MAPT P10636 8/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TPSAB1 Q15661 1/20 0.34
▸ ALOX5AP P20292 2/20 0.34
▸ FEN1 P39748 2/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ CASP1 P29466 2/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ BRCA1 P38398 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HBB P68871 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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 SCHEMBL3585426 0.90 TNFRSF1A (0.38) TNFRSF1AMAPTTSHRTPSAB1ALOX5AP
SCHEMBL3591933 0.88 MAPT (0.40) MAPTALOX5APFEN1KDM4EALDH1A1
SCHEMBL3585207 0.88 MAPT (0.40) TNFRSF1AMAPTTSHRKDM4EALDH1A1
SCHEMBL3581931 0.86 HPGDS (0.41) TNFRSF1AMAPTTPSAB1ALOX5APFEN1
SCHEMBL3590068 0.81 TNFRSF1A (0.36) TNFRSF1AMAPTTSHRKDM4EALDH1A1
Tromethamine SCHEMBL3585206 0.76 TNFRSF1A (0.40) TNFRSF1AMAPTTSHRKDM4EALDH1A1
SCHEMBL3598526 0.74 MAPT (0.42) TNFRSF1AMAPTTSHRKDM4EALDH1A1
SCHEMBL3584180 0.72 HPGDS (0.44) TNFRSF1AMAPTTSHRKDM4EALDH1A1
SCHEMBL3586048 0.71 TOP1 (0.48) TNFRSF1AMAPTTSHRKDM4EALDH1A1
SCHEMBL14390864 0.71 MAPT (0.38) TNFRSF1AMAPTALOX5APFEN1KDM4E

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.

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