SCHEMBL1801335

SCHEMBL1801335

CCOc1ccccc1C1(C(C(=O)OC)C(=O)OC)C(=O)Nc2ccc(C#N)cc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.40
BACE1 P56817 1/20 0.35
LMNA P02545 3/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
PGR P06401 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
IP6K1 Q92551 1/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.34
AVPR1B P47901 1/20 0.34
USP2 O75604 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL1801337 0.89 LMNA (0.38) RXFP1BACE1LMNAKMT2AHSD17B10
SCHEMBL1479875 0.86 IP6K1 (0.39) PGRALDH1A1IP6K1MAPTAVPR1B
SCHEMBL75146 0.79 KMT2A (0.50) RXFP1BACE1LMNAKMT2AMEN1
SCHEMBL4510489 0.79 RXFP1 (0.42) RXFP1BACE1LMNAKMT2AHSD17B10
SCHEMBL75334 0.77 PGR (0.40) RXFP1LMNAKMT2AHSD17B10MEN1
SCHEMBL1795281 0.77 TRPV4 (0.43) RXFP1BACE1LMNAKMT2APGR
SCHEMBL1480622 0.76 IP6K1 (0.39) PGRL3MBTL1IP6K1AVPR1B
SCHEMBL73939 0.74 RXFP1 (0.38) RXFP1BACE1KMT2APGRTRPV4
SCHEMBL1480365 0.72 IP6K1 (0.38) PGRL3MBTL1IP6K1AVPR1B
SCHEMBL1590506 0.71 NPC1 (0.41) KMT2AMEN1L3MBTL1ALDH1A1IP6K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338590-B2 Substituted oxindole derivatives and medicaments containing the same ABBOTT GMBH & CO. KG (DE) 2012-12-25 US disclosed
US-20110257194-A1 SUBSTITUTED OXINDOL DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME ABBOTT GMBH & CO. KG (DE) 2011-10-20 US disclosed
US-7951807-B2 Substituted oxindol derivatives and medicaments containing the same ABBOTT GMBH & CO. KG (DE) 2011-05-31 US disclosed
US-20090005397-A1 Substituted Oxindol Derivatives and Medicaments Containing the Same ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2009-01-01 US disclosed
EP-1773814-B1 SUBSTITUTED OXINDOL DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME ABBOTT GMBH & CO KG (DE) 2007-11-07 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 (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-20090005397-A1 Substituted Oxindol Derivatives and Medicaments Containing the Same OXTR, AVPR2, AVPR1B RXFP1 35/4885BACE1 1745/4885LMNA 3488/4885
US-20110257194-A1 SUBSTITUTED OXINDOL DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME OXTR, AVPR2, AVPR1B RXFP1 55/4885BACE1 2683/4885LMNA 3780/4885

“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.