SCHEMBL1966124

SCHEMBL1966124

Cc1c(Br)cc(N2CCOC2=O)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 12/20 0.41
MMP12 P39900 3/20 0.36
MMP13 P45452 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BCL2 P10415 1/20 0.35
ADAMTS4 O75173 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP14 P50281 1/20 0.35
ADAM17 P78536 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL13167926 0.71 HSP90AA1 (0.39) SMN1; SMN2NPSR1
SCHEMBL5174949 0.71 PIK3CA (0.38) SMN1; SMN2
SCHEMBL20575529 0.71 BCL2 (0.36) BCL2MEN1ALDH1A1HPGDKMT2A
SCHEMBL12445147 0.70 CYP11B2 (0.35)
SCHEMBL26298453 0.70 EGLN2 (0.40) CMA1
SCHEMBL850221 0.70 TSHR (0.50) CMA1MMP12MMP13SMN1; SMN2BCL2
SCHEMBL5175915 0.68 CMA1 (0.35) CMA1MMP12MMP13
SCHEMBL17214037 0.68 SLC6A9 (0.44) CMA1MMP12MMP13
SCHEMBL18505936 0.68 MMP12 (0.39) CMA1MMP12MMP13ADAMTS4MMP1
SCHEMBL3348720 0.68 CYP2C19 (0.45) CMA1SMN1; SMN2GAAMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509946-B1 SPIRO INDOLE-CYCLOPROPANE INDOLINONES USEFUL AS AMPK MODULATORS HOFFMANN LA ROCHE (CH) 2014-04-16 EP disclosed
US-20130102604-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-04-25 US disclosed
US-8354443-B2 Cyclopropane indolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
EP-2509946-A1 SPIRO INDOLE - CYCLOPROPANE INDOLINONES USEFUL AS AMPK MODULATORS F. Hoffmann-La Roche AG (CH) 2012-10-17 EP disclosed
WO-2011069298-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO disclosed
US-20110144106-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 US disclosed
WO-2011070039-A1 SPIRO INDOLE - CYCLOPROPANE INDOLINONES USEFUL AS AMPK MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 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-20110144106-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES GPR119, CPT1A, IRS1 CMA1 782/4885MMP12 3529/4885MMP13 3825/4885
US-20130102604-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES GPR119, CPT1A, IRS1 CMA1 778/4885MMP12 3572/4885MMP13 3852/4885

“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.