SCHEMBL2512337

SCHEMBL2512337

CCOC(=O)c1nc(SC)n(C)c(=O)c1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
HSP90AA1 P07900 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
MAOB P27338 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 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
SCHEMBL15455917 0.89 HPGD (0.49) HPGDPOLBMEN1KMT2ACYP1A2
SCHEMBL3416727 0.86 KMT2A (0.46) HPGDKDM4EMEN1KMT2AHSP90AA1
SCHEMBL5538661 0.86 ALDH1A1 (0.44) POLBSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL6093940 0.84 KDM4E (0.45) HPGDSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL5643042 0.84 LMNA (0.42) HPGDPOLBSMN1; SMN2KDM4EMEN1
SCHEMBL5532809 0.84 CYP1A2 (0.42) HPGDSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL6093491 0.83 KDM4E (0.44) HPGDSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL6093718 0.83 KDM4E (0.42) HPGDPOLBKDM4EMEN1KMT2A
SCHEMBL6095048 0.80 HPGD (0.41) HPGDPOLBSMN1; SMN2KDM4EMEN1
SCHEMBL2510778 0.79 ADORA3 (0.44) SMN1; SMN2KDM4EMEN1KMT2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383639-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
US-20110245241-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 US disclosed
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
WO-2004062613-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-29 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 (2 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-20110245241-A1 HIV Integrase Inhibitors DNTT, POLB, UNG HPGD 1406/4885POLB 2/4885SMN1; SMN2 4431/4885
US-20040204498-A1 HIV integrase inhibitors IMPDH1, TYMP, REV1 HPGD 2482/4885POLB 23/4885SMN1; SMN2 3629/4885

“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.