SCHEMBL6879591

SCHEMBL6879591

COc1ccc(COc2cc(OCC(F)(F)F)nc3c(C)c(OC)ccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 7/20 0.43
PDE2A O00408 1/20 0.41
KIT P10721 2/20 0.40
AR P10275 1/20 0.40
NTRK1 P04629 1/20 0.39
NTRK3 Q16288 1/20 0.39
NTRK2 Q16620 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 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
SCHEMBL6877923 0.83 CSF1R (0.42) CSF1RPDE2AKITNTRK1NTRK3
SCHEMBL3375196 0.83 PDE2A (0.40) CSF1RPDE2AARMAPTSMN1; SMN2
SCHEMBL6879380 0.81 CSF1R (0.42) CSF1RPDE2AKITNTRK1NTRK3
SCHEMBL6879064 0.80 CSF1R (0.41) CSF1RPDE2AKITNTRK1NTRK3
SCHEMBL313189 0.80 CSF1R (0.44) CSF1RPDE2AKITNTRK1NTRK3
SCHEMBL6877847 0.79 ALDH1A1 (0.36) PTGS1PTGS2ALDH1A1HPGD
SCHEMBL312672 0.79 CSF1R (0.37) CSF1RKITARNTRK1NTRK3
SCHEMBL13763658 0.73 USP2 (0.41) MAPTSMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL312965 0.72 CSF1R (0.43) CSF1RPDE2AKITNTRK1NTRK3
SCHEMBL8140632 0.72 USP2 (0.41) MAPTSMN1; SMN2KDM4EMEN1ALDH1A1

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-20120077737-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-29 US disclosed
US-20120077737-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-29 US disclosed
US-20110294778-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
US-20110294778-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
WO-2011063502-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-03 WO disclosed
WO-2011063501-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-03 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-20110294778-A1 HEPATITIS C INHIBITOR COMPOUNDS ABCC1, CTRC, HAVCR2 CSF1R 3381/4885PDE2A 3377/4885KIT 1037/4885
US-20120077737-A1 HEPATITIS C INHIBITOR COMPOUNDS CTSC, HCCS, CTSZ CSF1R 4576/4885PDE2A 4433/4885KIT 4165/4885

“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.