SCHEMBL6093875

SCHEMBL6093875

Cn1c(N2CCCCS2(O)O)nc(C(=O)NCCc2ccccc2)c(O)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALCA P06881 3/20 0.44
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LIPG Q9Y5X9 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6094030 0.92 THRB (0.42) TP53POLBRXFP1LMNAMAPK1
SCHEMBL6093767 0.91 LIPG (0.43) TP53LIPGMEN1KMT2ALMNA
SCHEMBL6095355 0.91 CALCA (0.45) CALCAPOLBTSHRNPC1RAB9A
SCHEMBL6093859 0.91 CALCA (0.52) CALCAPOLBLIPGMEN1KMT2A
SCHEMBL6093561 0.91 CALCA (0.54) CALCATP53POLBMEN1KMT2A
SCHEMBL6094721 0.90 ABCB1 (0.43) CALCAMEN1KMT2ALMNAHTT
SCHEMBL6095344 0.90 CALCA (0.51) CALCATP53POLBLMNATHRB
SCHEMBL6096344 0.89 SMN1; SMN2 (0.45) TP53POLBMEN1KMT2AKDM4E
SCHEMBL6095912 0.88 MAPT (0.49) CALCATP53POLBTHRBMAPT
SCHEMBL6092673 0.86 POLB (0.44) TP53POLBMEN1KMT2AALDH1A1

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-7135467-B2 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 US claimed
US-20040204498-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US claimed
US-7135467-B2 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 US disclosed
US-20040204498-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 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-20040204498-A1 HIV integrase inhibitors IMPDH1, TYMP, REV1 CALCA 4716/4885TP53 2504/4885POLB 23/4885

“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.