SCHEMBL3848975

SCHEMBL3848975

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
HDAC1 Q13547 4/20 0.49
HDAC6 Q9UBN7 4/20 0.49
PLA2G2A P14555 3/20 0.49
KDM4E B2RXH2 3/20 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
PTGDR2 Q9Y5Y4 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GFER P55789 1/20 0.47
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL3857024 0.91 HDAC1 (0.51) LMNAHDAC1HDAC6PLA2G2AKDM4E
SCHEMBL3848774 0.90 HDAC1 (0.50) LMNAHDAC1HDAC6PLA2G2AKDM4E
SCHEMBL3853781 0.89 HDAC1 (0.49) LMNAHDAC1HDAC6PLA2G2AKDM4E
SCHEMBL3855485 0.87 PLA2G2A (0.50) LMNAHDAC1HDAC6PLA2G2AKDM4E
SCHEMBL3848949 0.86 HDAC1 (0.47) LMNAHDAC1HDAC6PLA2G2AKDM4E
SCHEMBL3848329 0.83 KDM4E (0.50) HDAC1HDAC6PLA2G2AKDM4EPTGDR2
SCHEMBL3855367 0.83 HDAC1 (0.49) HDAC1HDAC6PLA2G2AKDM4EPTGDR2
SCHEMBL3854421 0.81 HDAC1 (0.48) LMNAHDAC1HDAC6PLA2G2AKDM4E
SCHEMBL3848979 0.79 LMNA (0.56) LMNAHDAC1HDAC6PLA2G2AKDM4E
SCHEMBL3848980 0.79 LMNA (0.56) LMNAHDAC1HDAC6PLA2G2AKDM4E

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 991/4885HDAC1 589/4885HDAC6 571/4885

“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.