SCHEMBL6421658

SCHEMBL6421658

CC(C)(C)OC(=O)c1cc(Cl)ccc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
ABL1 P00519 1/20 0.39
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRA6 Q16445 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
SERPINE1 P05121 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
ANO1 Q5XXA6 1/20 0.36
KDM4E B2RXH2 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL17480688 0.87 ABL1 (0.42) CNR1CNR2ABL1GABRA1GABRG2
SCHEMBL7858859 0.83 ALDH1A1 (0.53) CNR1CNR2ABL1ALDH1A1TP53
SCHEMBL5371578 0.81 CA1 (0.55) CA1CA2NR1H4KDM4EKCNMA1
SCHEMBL271075 0.81 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2982404 0.81 CISD2 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6420613 0.81 ABL1 (0.59) ABL1ALDH1A1KDM4EGLAGAA
SCHEMBL415970 0.80 ABL1 (0.50) CNR1CNR2ABL1GABRA1GABRG2
SCHEMBL17215529 0.80 CES2 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL27755305 0.80 ALDH1A1 (0.50) CNR1CNR2ABL1GABRA1GABRG2
SCHEMBL29149102 0.80 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050227978-A1 Fibrosis inhibitor SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2005-10-13 US disclosed
EP-1479384-A1 FIBROSIS INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-11-24 EP disclosed
US-20040209939-A1 Pyrrole derivatives SUMITOMO PHARMACEUTICALS CO., LTD. 2004-10-21 US disclosed
US-6759429-B2 HAVING TRANSFORMING GROWTH FACTOR- BETA INHIBITORY ACTIVITY AND BEING USEFUL AS FIBROSIS INHIBITORS FOR ORGANS OR TISSUES SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2004-07-06 US disclosed
US-20030181496-A1 Pyrrole derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2003-09-25 US disclosed
EP-1310485-A1 PYRROLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-05-14 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 (3 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-20050227978-A1 Fibrosis inhibitor SMAD3, MMP1, SMAD2 CNR1 150/4885CNR2 167/4885ABL1 1133/4885
US-20030181496-A1 Pyrrole derivatives NCOA1, PKD1, NR3C2 CNR1 30/4885CNR2 58/4885ABL1 2293/4885
US-20040209939-A1 Pyrrole derivatives NCOA1, PKD1, NCOR1 CNR1 27/4885CNR2 58/4885ABL1 2432/4885

“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.