SCHEMBL6865973

SCHEMBL6865973

CC(C)(C)OC(=O)CO/N=C/c1ccc(Cl)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PYGL P06737 8/20 0.39
NPSR1 Q6W5P4 2/20 0.38
NPFFR2 Q9Y5X5 2/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MIF P14174 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL6865977 1.00 GPR55 (0.41) GPR55KMT2AMEN1PYGLNPSR1
SCHEMBL6076425 0.80 LMNA (0.55) GPR55KMT2AMEN1LMNAKDM4E
SCHEMBL6076429 0.80 LMNA (0.55) GPR55KMT2AMEN1LMNAKDM4E
SCHEMBL8870572 0.78 ALDH1A1 (0.41) GPR55KMT2AMEN1NPSR1LMNA
SCHEMBL7702094 0.76 SMN1; SMN2 (0.46) GPR55KMT2AMEN1LMNAKDM4E
SCHEMBL8871630 0.74 ALDH1A1 (0.65) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL9618876 0.73 ALDH1A1 (0.34) GPR55KMT2AMEN1ALDH1A1
SCHEMBL13903493 0.73 KDM4E (0.66) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL16741108 0.69 POLB (0.47) LMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL1881204 0.69 PYGL (0.40) KMT2AMEN1PYGLLMNAKDM4E

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
EP-1467695-A2 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-10-20 EP disclosed
US-6777440-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US disclosed
US-20030176495-A1 HIV Integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-18 US disclosed
WO-2003049690-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-19 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-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 GPR55 3518/4885KMT2A 646/4885MEN1 4365/4885

“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.