SCHEMBL13623968

SCHEMBL13623968

COC(=O)Cc1c2c(c(O)c3ncc(Cc4ccc(F)cc4)cc13)C(=O)N(C)C2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LIPG Q9Y5X9 2/20 0.36
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
CASP3 P42574 2/20 0.33
HTR7 P34969 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CDK9 P50750 1/20 0.32
GRM2 Q14416 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TLR2 O60603 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
CSNK1D P48730 1/20 0.31
NTRK1 P04629 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31

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
SCHEMBL14384665 0.91 MAOB (0.38) L3MBTL1LIPGMEN1KMT2ASMN1; SMN2
SCHEMBL12378442 0.91 CDK9 (0.37) LIPGCDK9GRM2CSNK1DNTRK1
SCHEMBL12378448 0.89 GRM2 (0.34) LIPGCDK9GRM2TLR2CSNK1D
SCHEMBL13623975 0.89 LIPG (0.33) LIPGCDK9GRM2TLR2CSNK1D
SCHEMBL12378458 0.88 GRIN2B (0.35) LIPGCDK9CSNK1DNTRK1
SCHEMBL13623987 0.87 GRM2 (0.32) GRM2CSNK1D
SCHEMBL3992850 0.86 GPR52 (0.34) LIPGMEN1KMT2ACDK9GRM2
SCHEMBL13624116 0.86 LIPG (0.31) LIPGCDK9
SCHEMBL13623970 0.86 PTGER4 (0.32) LIPGCDK9
SCHEMBL13624049 0.86 GAA (0.33) GAAL3MBTL1LIPGCA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291921-A1 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-11-26 US disclosed
US-20090291921-A1 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-11-26 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-20090291921-A1 INTEGRASE INHIBITORS TYMP, DNTT, PAICS GAA 835/4885L3MBTL1 220/4885LIPG 2233/4885

“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.