SCHEMBL3848980

SCHEMBL3848980

Cc1c(C[C@H](NCl)C(=O)O)c2ccccc2n1Cc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
PLA2G2A P14555 1/20 0.53
GFER P55789 1/20 0.53
HDAC1 Q13547 4/20 0.50
HDAC6 Q9UBN7 4/20 0.50
PTGDR2 Q9Y5Y4 3/20 0.50
ADAM17 P78536 1/20 0.48
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
THRA P10827 5/20 0.47
THRB P10828 5/20 0.47
HDAC2 Q92769 2/20 0.46
HDAC3 O15379 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
SCHEMBL3848979 1.00 LMNA (0.56) LMNAPLA2G2AGFERHDAC1HDAC6
SCHEMBL3857029 0.91 PLA2G2A (0.55) PLA2G2AGFERHDAC1HDAC6PTGDR2
SCHEMBL3857031 0.91 PLA2G2A (0.55) PLA2G2AGFERHDAC1HDAC6PTGDR2
SCHEMBL3848777 0.90 PLA2G2A (0.54) LMNAPLA2G2AGFERHDAC1HDAC6
SCHEMBL3848779 0.90 PLA2G2A (0.54) LMNAPLA2G2AGFERHDAC1HDAC6
SCHEMBL3853782 0.88 PLA2G2A (0.53) PLA2G2AGFERHDAC1HDAC6PTGDR2
SCHEMBL3853784 0.88 PLA2G2A (0.53) PLA2G2AGFERHDAC1HDAC6PTGDR2
SCHEMBL3848950 0.86 ADAM17 (0.51) LMNAPLA2G2AGFERHDAC1HDAC6
SCHEMBL3848951 0.86 ADAM17 (0.51) LMNAPLA2G2AGFERHDAC1HDAC6
SCHEMBL3855493 0.86 ADAM17 (0.54) LMNAPLA2G2AGFERHDAC1HDAC6

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 LMNA 991/4885PLA2G2A 3197/4885GFER 4378/4885

“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.