SCHEMBL3585765

SCHEMBL3585765

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.42
▸ TNFRSF1A P19438 1/20 0.40
▸ RXRA P19793 2/20 0.39
▸ RXRB P28702 1/20 0.39
▸ PDE5A O76074 1/20 0.39
▸ PDE1A P54750 1/20 0.39
▸ PDE1B Q01064 1/20 0.39
▸ PDE1C Q14123 1/20 0.39
▸ ACMSD Q8TDX5 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KLK7 P49862 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ RGS12 O14924 1/20 0.36
▸ RET P07949 1/20 0.36
▸ ADORA3 P0DMS8 2/20 0.36
▸ ADORA2A P29274 2/20 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
Tromethamine SCHEMBL3590066 0.96 TNFRSF1A (0.39) HPGDSTNFRSF1ARXRARXRBPDE5A
SCHEMBL3592169 0.91 MAPT (0.40) HPGDSSIRT2KDM4EALDH1A1HPGD
SCHEMBL3590068 0.86 TNFRSF1A (0.36) HPGDSTNFRSF1ASIRT2KDM4EALDH1A1
SCHEMBL3584180 0.80 HPGDS (0.44) HPGDSTNFRSF1ARXRARXRBPDE5A
Tromethamine SCHEMBL3585206 0.77 TNFRSF1A (0.40) HPGDSTNFRSF1ARXRARXRBPDE5A
SCHEMBL3592534 0.77 POLB (0.43) HPGDSTNFRSF1APDE5APDE1APDE1B
SCHEMBL3581931 0.77 HPGDS (0.41) HPGDSTNFRSF1ARXRARXRBPDE5A
Tromethamine SCHEMBL3585426 0.74 TNFRSF1A (0.38) HPGDSTNFRSF1ARXRARXRBPDE5A
SCHEMBL14390903 0.74 SMN1; SMN2 (0.47) HPGDSTNFRSF1AKDM4EALDH1A1HPGD
SCHEMBL14390908 0.74 HPGDS (0.39) HPGDSTNFRSF1ARXRARXRBPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 — — US disclosed
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 — — US disclosed
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 — — US disclosed
WO-2007124546-A1 INTEGRASE INHIBITORS 3 AVEXA LIMITED (AU) 2007-11-08 — — WO 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 HPGDS 2106/4885TNFRSF1A 3388/4885RXRA 4378/4885

“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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