SCHEMBL6093767

SCHEMBL6093767

Cn1c(N2CCCCS2(O)O)nc(C(=O)NCCc2ccc(Cl)cc2)c(O)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.43
THRB P10828 3/20 0.43
LMNA P02545 3/20 0.43
MCHR1 Q99705 2/20 0.41
CYP2D6 P10635 2/20 0.41
CHRM1 P11229 1/20 0.41
HTR2A P28223 1/20 0.41
TP53 P04637 2/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 3/20 0.39
CNR1 P21554 1/20 0.39
ABCB1 P08183 1/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38

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) THRBLMNATP53SMN1; SMN2GAA
SCHEMBL6095355 0.91 CALCA (0.45) MCHR1RAB9ASMN1; SMN2NPC1
SCHEMBL6093760 0.91 LIPG (0.46) LIPGTHRBLMNAMCHR1CYP2D6
SCHEMBL6093875 0.91 CALCA (0.44) LIPGTHRBLMNATP53RAB9A
SCHEMBL6095170 0.91 MEN1 (0.46) THRBLMNATP53MEN1KMT2A
SCHEMBL6094721 0.90 ABCB1 (0.43) THRBLMNAMCHR1RAB9ASMN1; SMN2
SCHEMBL6096344 0.90 SMN1; SMN2 (0.45) CYP2D6TP53RAB9ASMN1; SMN2MEN1
SCHEMBL6093865 0.86 CALCA (0.44) LIPGRAB9ANPC1
SCHEMBL6093830 0.85 LIPG (0.52) LIPG
SCHEMBL6095344 0.84 CALCA (0.51) THRBLMNATP53ABCB1

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 LIPG 2045/4885THRB 2117/4885LMNA 3550/4885

“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.