SCHEMBL885499

SCHEMBL885499

COCCCOc1cccc(-n2c(-c3ccccc3)c(C(=O)O)[nH]c2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.45
MCL1 Q07820 3/20 0.43
NTRK1 P04629 5/20 0.43
NTRK2 Q16620 5/20 0.43
NTRK3 Q16288 4/20 0.43
FAAH O00519 2/20 0.42
IGF1R P08069 1/20 0.41
FGFR1 P11362 1/20 0.41
CSNK2A1 P68400 1/20 0.39
KDM4E B2RXH2 2/20 0.39
DHODH Q02127 1/20 0.39
NOTUM Q6P988 1/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL885623 0.94 NTRK1 (0.48) RENMCL1NTRK1NTRK2NTRK3
SCHEMBL885581 0.89 FAAH (0.47) RENNTRK1NTRK2NTRK3FAAH
SCHEMBL885859 0.86 REN (0.50) RENMCL1NTRK1NTRK2NTRK3
SCHEMBL2063195 0.85 REN (0.60) RENMCL1NTRK1NTRK2NTRK3
SCHEMBL885747 0.83 NTRK1 (0.47) NTRK1NTRK2NTRK3FAAHKDM4E
SCHEMBL8170928 0.82 REN (0.46) RENMEN1KMT2A
SCHEMBL885836 0.81 REN (0.42) RENMCL1NTRK1NTRK2NTRK3
SCHEMBL885512 0.81 REN (0.45) RENMCL1NTRK1NTRK2NTRK3
SCHEMBL885708 0.80 REN (0.54) RENNTRK1NTRK2NTRK3KDM4E
SCHEMBL885949 0.78 GSK3B (0.44) MCL1NTRK1NTRK2NTRK3IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO claimed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO disclosed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 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 (1 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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT REN 1/4885MCL1 4828/4885NTRK1 4304/4885

“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.