SCHEMBL4825840

SCHEMBL4825840

Cc1nn(C)c(-c2ccc(F)cc2)c1/C=C/C(=O)Nc1ccc(CP(=O)(O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.42
MMP1 P03956 2/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
EGFR P00533 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C9 P11712 2/20 0.38
GAA P10253 1/20 0.38
HPSE Q9Y251 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
PKM P14618 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
SCHEMBL4825853 1.00 GRM5 (0.42) GRM5MMP1MMP2MMP9EGFR
SCHEMBL4835414 0.90 GRM5 (0.41) GRM5MMP1MMP2MMP9EGFR
SCHEMBL4834758 0.88 GRM5 (0.39) GRM5MMP1MMP2MMP9EGFR
SCHEMBL4835439 0.84 MAOB (0.42) GRM5MMP1MMP2MMP9EGFR
SCHEMBL4835407 0.84 MAOB (0.42) GRM5MMP1MMP2MMP9EGFR
SCHEMBL4834750 0.84 GRM5 (0.40) GRM5MMP1MMP2MMP9EGFR
SCHEMBL4834770 0.84 GRM5 (0.40) GRM5MMP1MMP2MMP9EGFR
SCHEMBL4831171 0.83 CCNC (0.44) GRM5MMP1MMP2MMP9EGFR
SCHEMBL4834355 0.83 CCNC (0.44) GRM5MMP1MMP2MMP9EGFR
SCHEMBL4831155 0.83 CCNC (0.44) GRM5MMP1MMP2MMP9EGFR

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 5 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
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 WO 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 GRM5 341/4885MMP1 4721/4885MMP2 4741/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 GRM5 341/4885MMP1 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.