SCHEMBL3848588

SCHEMBL3848588

COOC(=O)[C@@H](N)Cc1cn(Cc2ccccc2C(F)(F)F)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
RECQL P46063 1/20 0.45
KDM1A O60341 1/20 0.44
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NOD2 Q9HC29 1/20 0.40
PTGS2 P35354 1/20 0.39
KDM4E B2RXH2 1/20 0.39
P2RX7 Q99572 1/20 0.38
SCN9A Q15858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DPP4 P27487 2/20 0.38
FAP Q12884 2/20 0.38
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 2/20 0.38
HDAC10 Q969S8 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TP53 P04637 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
SCHEMBL3850583 0.93 PTGS2 (0.46) MAPTALDH1A1RECQLKDM1AKMT2A
SCHEMBL3849859 0.86 MAPT (0.55) MAPTALDH1A1RECQLKDM1AKMT2A
SCHEMBL3849864 0.86 MAPT (0.55) MAPTALDH1A1RECQLKDM1AKMT2A
SCHEMBL3848897 0.85 TP53 (0.51) MAPTALDH1A1RECQLKMT2ANPC1
SCHEMBL3847975 0.84 HTR6 (0.55) MAPTALDH1A1RECQLKMT2APTGS2
SCHEMBL3853332 0.84 TP53 (0.51) MAPTALDH1A1RECQLKMT2APTGS2
SCHEMBL3858061 0.82 ICMT (0.53) MAPTALDH1A1RECQLKMT2A
SCHEMBL3858112 0.81 PLA2G2A (0.41) ALDH1A1KDM4ENPSR1HDAC6
SCHEMBL3848590 0.80 ADAM17 (0.46) MAPTALDH1A1KDM1AKMT2AKDM4E
SCHEMBL3848585 0.80 ADAM17 (0.46) MAPTALDH1A1KDM1AKMT2AKDM4E

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-7576222-B2 N-{[4-(but-2-ynyloxy)phenyl]sulfonyl}-1-(2-fluorobenzyl)-5-methoxy-2-methyltryptophan; for treatment of rheumatoid arthritis, juvenile rheumatoid arthritis, ulcerative colitis, or Crohn's disease WYETH (US) 2009-08-18 US disclosed
US-20060160884-A1 Alkynyl-containing tryptophan derivative inhibitors of tace/matrix metalloproteinase WYETH (US) 2006-07-20 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-20060160884-A1 Alkynyl-containing tryptophan derivative inhibitors of tace/matrix metalloproteinase ADAM17, TPSAB1, ADAM10 MAPT 1572/4885ALDH1A1 740/4885RECQL 3071/4885

“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.