SCHEMBL4831264

SCHEMBL4831264

O=C(/C=C/c1cnn(Cc2ccccc2)c1-c1ccc(F)cc1)Nc1ccc(CP(=O)(O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
CCNC P24863 7/20 0.42
CDK8 P49336 7/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
PTGER4 P35408 1/20 0.41
CDK19 Q9BWU1 2/20 0.41
HDAC2 Q92769 4/20 0.40
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC1 Q13547 3/20 0.38
HPSE Q9Y251 2/20 0.37
KCNJ6 P48051 1/20 0.37
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 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
SCHEMBL4831275 1.00 EGFR (0.43) EGFRMMP1MMP2MMP9CCNC
SCHEMBL4826902 0.88 PTGDR2 (0.40) EGFRMMP1MMP2MMP9CCNC
SCHEMBL4833258 0.88 CCNC (0.44) EGFRMMP1MMP2MMP9CCNC
SCHEMBL4833243 0.88 CCNC (0.44) EGFRMMP1MMP2MMP9CCNC
SCHEMBL6429798 0.87 MMP1 (0.46) EGFRMMP1MMP2MMP9CCNC
SCHEMBL4831171 0.85 CCNC (0.44) EGFRMMP1MMP2MMP9CCNC
SCHEMBL4834355 0.85 CCNC (0.44) EGFRMMP1MMP2MMP9CCNC
SCHEMBL4831155 0.85 CCNC (0.44) EGFRMMP1MMP2MMP9CCNC
SCHEMBL4826913 0.85 CCNC (0.39) EGFRMMP1MMP2MMP9CCNC
SCHEMBL4826898 0.85 CCNC (0.39) EGFRMMP1MMP2MMP9CCNC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 EGFR 802/4885MMP1 4721/4885MMP2 4741/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 EGFR 802/4885MMP1 4721/4885MMP2 4741/4885

“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.