SCHEMBL861993

SCHEMBL861993

COC(=O)c1cccc(-c2cccc(OCCCCCCOC(=O)Cl)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.41
CTSA P10619 2/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
CNR2 P34972 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
CES1 P23141 4/20 0.41
FAAH O00519 2/20 0.41
DHODH Q02127 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
NCEH1 Q6PIU2 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40

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
SCHEMBL846739 0.88 LTB4R (0.43) LTB4RCTSACYP1A2GAAMAPT
SCHEMBL7845227 0.87 MTNR1A (0.44) LTB4RCTSACYP1A2GAAMAPT
Hydrochloric Acid SCHEMBL847470 0.86 MTNR1A (0.43) LTB4RCTSACYP1A2GAAMAPT
SCHEMBL7847592 0.82 MAOA (0.45) GAAMAPTHDAC1HDAC2IRAK4
SCHEMBL846487 0.82 CTSA (0.40) LTB4RCTSACYP1A2GAAMAPT
SCHEMBL7848484 0.81 HDAC1 (0.45) LTB4RCNR2HDAC1HDAC2CES1
SCHEMBL847238 0.80 SUCNR1 (0.60) CNR2
SCHEMBL846498 0.78 MEN1 (0.49) CTSACNR2HDAC1HDAC2CES1
SCHEMBL22940145 0.76 PLA2G2A (0.55) CYP1A2MAPT
SCHEMBL847234 0.76 SMPD1 (0.53) GAAMAPTCNR2FAAH

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-8703700-B2 Bimacrocylic HCV NS3 protease inhibitors SEQUOIA PHARMACEUTICALS, INC. (US) 2014-04-22 US disclosed
US-20120141414-A1 Bimacrocylic HCV NS3 Protease Inhibitors SEQUOIA PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
US-20120141414-A1 Bimacrocylic HCV NS3 Protease Inhibitors SEQUOIA PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
US-20120141414-A1 Bimacrocylic HCV NS3 Protease Inhibitors SEQUOIA PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
EP-2432318-A1 BIMACROCYCLIC HCV NS3 PROTEASE INHIBITORS Sequoia Pharmaceuticals, Inc. (US) 2012-03-28 EP disclosed
WO-2010135748-A1 BIMACROCYCLIC HCV NS3 PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS INC. (US) 2010-11-25 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-20120141414-A1 Bimacrocylic HCV NS3 Protease Inhibitors HAVCR2, CTRC, CTSC LTB4R 2013/4885CTSA 196/4885CYP1A2 1184/4885

“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.