SCHEMBL1801337

SCHEMBL1801337

CCOC(=O)C(C(=O)O)C1(c2ccccc2OCC)C(=O)Nc2ccc(C#N)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 3/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
USP2 O75604 2/20 0.35
BACE1 P56817 1/20 0.35
PGR P06401 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALK Q9UM73 1/20 0.34
POLB P06746 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
SCHEMBL1801335 0.89 RXFP1 (0.40) LMNAMEN1KMT2AHSD17B10HPGD
SCHEMBL1480622 0.80 IP6K1 (0.39) PGRL3MBTL1ALK
SCHEMBL4510489 0.80 RXFP1 (0.42) LMNAMEN1KMT2AHSD17B10HPGD
SCHEMBL75146 0.78 KMT2A (0.50) LMNAMEN1KMT2ARXFP1ALDH1A1
SCHEMBL1795281 0.76 TRPV4 (0.43) LMNAKMT2ARXFP1NPSR1BACE1
SCHEMBL75334 0.76 PGR (0.40) LMNAMEN1KMT2AHSD17B10RXFP1
SCHEMBL1479875 0.75 IP6K1 (0.39) ALDH1A1MAPTPGR
SCHEMBL73939 0.75 RXFP1 (0.38) KMT2ARXFP1ALDH1A1GAATSHR
SCHEMBL1480365 0.74 IP6K1 (0.38) PGRL3MBTL1ALK
SCHEMBL16837199 0.68 IP6K1 (0.41) LMNAHPGDALDH1A1USP2PGR

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 4 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

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 LMNA 3488/4885MEN1 331/4885KMT2A 4350/4885
US-20110257194-A1 SUBSTITUTED OXINDOL DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME OXTR, AVPR2, AVPR1B LMNA 3780/4885MEN1 360/4885KMT2A 4284/4885

“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.