SCHEMBL12777983

SCHEMBL12777983

CCOC(=O)c1nc2n(c(=O)c1O)CCS2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 2/20 0.43
MAPT P10636 7/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
HPGD P15428 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
RECQL P46063 1/20 0.39
XDH P47989 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
SCHEMBL1169950 0.80 MAPT (0.43) POLBKMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL5540259 0.77 CYP2C19 (0.47) POLBALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL16561279 0.75 ALDH1A1 (0.50) POLBKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL9433134 0.74 TSHR (0.64) KMT2AALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL5645061 0.74 KDM5B (0.36) KMT2AALDH1A1TSHRMAPTMEN1
SCHEMBL25523006 0.73 LMNA (0.46) POLBKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL14064612 0.73 KDM4E (0.37) KMT2AALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL5538575 0.73 KDM5B (0.36) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL5388733 0.73 MAPT (0.37) KMT2AALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL5644226 0.73 MAPT (0.36) POLBKMT2AALDH1A1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902182-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-08 US disclosed
US-7902182-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-08 US disclosed
WO-2007059229-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-24 WO disclosed
US-20070111985-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 US disclosed
US-20070111985-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 US disclosed
US-7192948-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-20 US disclosed
US-7192948-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-20 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-20070111985-A1 HIV integrase inhibitors TYMP, POLN, IMPDH1 POLB 8/4885KMT2A 709/4885ALDH1A1 348/4885

“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.