SCHEMBL5849205

SCHEMBL5849205

CCCCCCCCCC1(CCCCCCCCC)c2cc(I)ccc2-c2ccc(I)cc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.36
MMP9 P14780 5/20 0.36
MMP8 P22894 4/20 0.36
MMP13 P45452 4/20 0.36
CNR1 P21554 5/20 0.34
CNR2 P34972 5/20 0.34
PDK2 Q15119 2/20 0.33
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
ALOX12 P18054 1/20 0.31
KMT2A Q03164 1/20 0.31
MMP3 P08254 1/20 0.30
TDP2 O95551 1/20 0.30

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
SCHEMBL13708993 1.00 MMP2 (0.36) MMP2MMP9MMP8MMP13CNR1
SCHEMBL4511675 1.00 MMP2 (0.36) MMP2MMP9MMP8MMP13CNR1
SCHEMBL1448661 1.00 MMP2 (0.36) MMP2MMP9MMP8MMP13CNR1
SCHEMBL1923234 1.00 MMP2 (0.36) MMP2MMP9MMP8MMP13CNR1
SCHEMBL4634013 0.98 MMP2 (0.33) MMP2MMP9MMP8MMP13CNR1
SCHEMBL1921532 0.93 ELANE (0.33) PDK2MEN1KMT2ATDP2
SCHEMBL12440909 0.92 CNR1 (0.37) MMP2MMP9MMP8MMP13CNR1
SCHEMBL1923373 0.92 PDK2 (0.40) MMP2MMP9MMP8MMP13CNR1
SCHEMBL1921668 0.92 PDK2 (0.40) MMP2MMP9MMP8MMP13CNR1
SCHEMBL16622910 0.92 PDK2 (0.40) MMP2MMP9MMP8MMP13CNR1

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
EP-1306131-B1 Cross-coupling process using a catalyst comprising a cyclic nitrogen ligand SUMITOMO CHEMICAL CO (JP) 2016-12-07 EP disclosed
US-20060111593-A1 Coupling catalyst and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED 2006-05-25 US disclosed
US-7041856-B2 Coupling catalyst and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-05-09 US disclosed
US-20030162950-A1 Coupling catalyst and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED 2003-08-28 US disclosed
EP-1306131-A2 Cross-Coupling catalyst comprising a cyclic nitrogen ligand and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-05-02 EP 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-20030162950-A1 Coupling catalyst and process using the same NOD1, PYM1, C9 MMP2 4810/4885MMP9 4454/4885MMP8 3519/4885
US-20060111593-A1 Coupling catalyst and process using the same RPL22, C9, RBM22 MMP2 4263/4885MMP9 3877/4885MMP8 3014/4885

“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.