SCHEMBL6503703

SCHEMBL6503703

F[B-](F)(F)F.O=C(N1CCCCC1)N1CCCCC1.O=C(N1CCCCC1)N1CCCCC1.O=C1c2ccccc2C(=O)N1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
LMNA P02545 1/20 0.53
XBP1 P17861 1/20 0.53
HIF1A Q16665 1/20 0.53
ALDH1A1 P00352 8/20 0.49
GAA P10253 2/20 0.49
HPGD P15428 2/20 0.49
KMT2A Q03164 2/20 0.49
HSD17B10 Q99714 1/20 0.49
USP2 O75604 1/20 0.47
ACHE P22303 1/20 0.47
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
P2RX1 P51575 2/20 0.45
P2RX3 P56373 2/20 0.45
P2RX4 Q99571 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL6495535 0.98 HTT (0.51) HTTLMNAXBP1HIF1AALDH1A1
SCHEMBL6427038 0.79 RNASEH1 (0.42) HTTLMNAXBP1HIF1AALDH1A1
SCHEMBL6427039 0.74 ERCC1 (0.47) HTTLMNAXBP1ALDH1A1KMT2A
SCHEMBL710689 0.73 ERCC1 (0.62) HTTLMNAXBP1ALDH1A1KMT2A
SCHEMBL1410 0.73 ERCC1 (0.62) HTTLMNAXBP1ALDH1A1KMT2A
SCHEMBL29361703 0.73 ERCC1 (0.62) HTTLMNAXBP1ALDH1A1KMT2A
SCHEMBL6496871 0.72 KMT2A (0.42) HTTLMNAXBP1ALDH1A1GAA
Water SCHEMBL4444794 0.71 ERCC1 (0.60) HTTLMNAXBP1ALDH1A1KMT2A
SCHEMBL1279494 0.71 ERCC1 (0.60) HTTLMNAXBP1ALDH1A1KMT2A
SCHEMBL2824834 0.71 ERCC1 (0.60) HTTLMNAXBP1ALDH1A1KMT2A

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
US-6884874-B2 Process and intermediates SMITHKLINE BEECHAM CORPORATION (US) 2005-04-26 US disclosed
US-20040014980-A1 Such as n-methyl-alanine derivatives; for preparing antibody/maytansinoid complexes SMITHKLINE BEECHAM PLC 2004-01-22 US disclosed
US-6570024-B2 N-methyl-L-alanine derivatives derivatives used for preparing cell binding agent/maytansinoid complexes SMITHKLINE BEECHAM CORPORATION 2003-05-27 US disclosed
US-20020156318-A1 Process and intermediates GLAXOSMITHKLINE LLC 2002-10-24 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-20040014980-A1 Such as n-methyl-alanine derivatives; for preparing antibody/maytansinoid complexes HGFAC, ANPEP, AAAS HTT 4569/4885LMNA 2177/4885XBP1 3259/4885
US-20020156318-A1 Process and intermediates HGFAC, MTAP, SPR HTT 4568/4885LMNA 703/4885XBP1 2209/4885

“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.