SCHEMBL5492401

SCHEMBL5492401

C=CCOC(=O)N1CC(=O)C[C@H]1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.34
ERN1 O75460 1/20 0.32
ELANE P08246 1/20 0.31
CTSG P08311 1/20 0.31
FKBP1A P62942 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL5497614 0.89 CYP19A1 (0.34) CYP19A1ERN1SIGMAR1
SCHEMBL5497620 0.89 CYP19A1 (0.34) CYP19A1ERN1SIGMAR1
SCHEMBL13863146 0.87 CYP19A1 (0.33) CYP19A1
SCHEMBL31080875 0.83 ALDH1A1 (0.37) FKBP1A
SCHEMBL7123624 0.83 ALDH1A1 (0.37) FKBP1A
SCHEMBL8145265 0.82 CYP19A1 (0.34) CYP19A1ERN1ELANECTSGSIGMAR1
SCHEMBL27190406 0.80 TOP2A (0.34) FKBP1A
SCHEMBL8701755 0.79 PSEN1 (0.41) FKBP1A
SCHEMBL8701756 0.79 PSEN1 (0.41) FKBP1A
SCHEMBL5492451 0.78 SIGMAR1 (0.31) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087382-A1 Inhibitors of Hepatitis C NS3 Protease BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-08 US disclosed
US-7528126-B2 Pyrrolobenzodiazepines SPIROGEN LIMITED 2009-05-05 US disclosed
US-7265105-B2 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2007-09-04 US disclosed
US-7265105-B2 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2007-09-04 US disclosed
US-20070185073-A1 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2007-08-09 US disclosed
US-20060148788-A1 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2006-07-06 US disclosed
US-7067511-B2 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2006-06-27 US disclosed
US-7049311-B1 Pyrrolbenzodiazepines SPIROGEN LIMITED (GB) 2006-05-23 US disclosed
EP-1109812-B1 PYRROLOBENZODIAZEPINES SPIROGEN LTD (GB) 2005-05-04 EP disclosed
EP-1413582-A1 Dimeric pyrrolobenzodiazepines Spirogen Limited (GB) 2004-04-28 EP disclosed
US-20030120069-A1 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2003-06-26 US disclosed
EP-1193270-A2 Pyrrolobenzodiazepines Spirogen Limited (GB) 2002-04-03 EP disclosed
EP-0330108-B1 3-Alkenyl-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO (JP) 1995-12-27 EP disclosed
US-5081237-A Chemical intermediates for bactericides FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-01-14 US disclosed
US-4923857-A CARBAPENICILLINS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-05-08 US disclosed
EP-0330108-A1 3-Alkenyl-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-08-30 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 (4 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-20100087382-A1 Inhibitors of Hepatitis C NS3 Protease RNASE1, GTF3C3, CTRL CYP19A1 884/4885ERN1 52/4885ELANE 935/4885
US-20060148788-A1 Pyrrolobenzodiazepines HCRTR2, MCHR2, CHRM5 CYP19A1 3730/4885ERN1 3829/4885ELANE 4875/4885
US-20070185073-A1 Pyrrolobenzodiazepines H1-10, DRD1, AVPR1B CYP19A1 1236/4885ERN1 3824/4885ELANE 4112/4885
US-20030120069-A1 Pyrrolobenzodiazepines CNR1, CBX2, CNR2 CYP19A1 3158/4885ERN1 2803/4885ELANE 3714/4885

“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.