SCHEMBL966308

SCHEMBL966308

Nc1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c(CO)c(Sc2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.51
▸ GAA P10253 1/20 0.51
▸ LMNA P02545 5/20 0.50
▸ SIRT2 Q8IXJ6 1/20 0.50
▸ TP53 P04637 4/20 0.49
▸ POLB P06746 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ PPARG P37231 1/20 0.49
▸ NCOA2 Q15596 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ HTT P42858 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ THRB P10828 1/20 0.46

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
SCHEMBL12947374 0.87 MAPT (0.52) MAPTGAALMNATP53POLB
SCHEMBL965667 0.86 MAPT (0.51) MAPTGAALMNASIRT2TP53
SCHEMBL10327053 0.77 MAPT (0.55) MAPTGAALMNATP53POLB
SCHEMBL10327149 0.76 LMNA (0.53) MAPTGAALMNATP53POLB
SCHEMBL963620 0.76 LMNA (0.52) MAPTGAALMNATP53POLB
SCHEMBL968558 0.76 LMNA (0.56) MAPTGAALMNATP53POLB
SCHEMBL964265 0.75 KMT2A (0.78) MAPTGAALMNATP53POLB
SCHEMBL25226689 0.74 KDM4E (0.60) MAPTGAALMNATP53POLB
SCHEMBL30219738 0.74 KDM4E (0.60) MAPTGAALMNATP53POLB
SCHEMBL19420176 0.74 MAPT (0.70) MAPTGAALMNASIRT2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 — — US claimed
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP disclosed
US-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 — — US disclosed
US-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 — — US disclosed
US-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 — — US disclosed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US disclosed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US disclosed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US disclosed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 — — US disclosed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 — — US disclosed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 — — 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 (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-20110021525-A1 P70S6 Kinase Modulators and Method of Use EEF2K, RPS6KA3, MTOR MAPT 3812/4885GAA 950/4885LMNA 3817/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR MAPT 3812/4885GAA 950/4885LMNA 3817/4885

“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.

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