SCHEMBL13541302

SCHEMBL13541302

CCCCOc1ccc(C[C@H]2NC(=O)N[C@H](Cc3ccc(O)cc3)[C@@H]3OC(C)(C)O[C@H]32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
POLB P06746 2/20 0.44
LTA4H P09960 3/20 0.44
NR5A1 Q13285 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4A O75164 1/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
ALDH1A1 P00352 3/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.39
GPR84 Q9NQS5 1/20 0.39
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 3/20 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
SCHEMBL14634414 0.94 KMT2A (0.48) KMT2APOLBL3MBTL1KDM4AUSP2
SCHEMBL13541305 0.90 KMT2A (0.45) KMT2APOLBLTA4HL3MBTL1KDM4A
SCHEMBL13538416 0.87 CAPN1 (0.40) KMT2APOLBALDH1A1MMP2MMP9
SCHEMBL3364723 0.87 CAPN1 (0.40) KMT2APOLBALDH1A1MMP2MMP9
SCHEMBL13538516 0.86 LMNA (0.48) KMT2AKDM4CMMP2LMNAMEN1
SCHEMBL13541313 0.83 KMT2A (0.40) KMT2APOLBL3MBTL1KDM4AUSP2
SCHEMBL13538513 0.82 GAA (0.41) POLBMMP2LMNAGAAGLA
SCHEMBL13538534 0.81 MEN1 (0.50) KMT2AKDM4CMMP2LMNAMEN1
SCHEMBL13538515 0.81 MEN1 (0.50) KMT2AKDM4CMMP2LMNAMEN1
SCHEMBL14459568 0.78 POLB (0.44) KMT2APOLBLTA4HNR5A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 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-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 KMT2A 3740/4885POLB 446/4885LTA4H 1533/4885

“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.