SCHEMBL4510489

SCHEMBL4510489

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.42
PGR P06401 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TBXA2R P21731 1/20 0.36
IP6K1 Q92551 1/20 0.36
GAA P10253 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
LMNA P02545 3/20 0.35
HSD17B10 Q99714 3/20 0.35
USP2 O75604 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
BACE1 P56817 1/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
GLA P06280 1/20 0.34

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
SCHEMBL16837199 0.85 IP6K1 (0.41) PGRALDH1A1IP6K1LMNAUSP2
SCHEMBL75146 0.82 KMT2A (0.50) RXFP1PGRTRPV4L3MBTL1ALDH1A1
SCHEMBL1801337 0.80 LMNA (0.38) RXFP1PGRTRPV4L3MBTL1ALDH1A1
SCHEMBL1795281 0.80 TRPV4 (0.43) RXFP1PGRTRPV4L3MBTL1LMNA
SCHEMBL75334 0.80 PGR (0.40) RXFP1PGRTRPV4L3MBTL1ALDH1A1
SCHEMBL1801335 0.79 RXFP1 (0.40) RXFP1PGRTRPV4L3MBTL1ALDH1A1
SCHEMBL73939 0.79 RXFP1 (0.38) RXFP1PGRTRPV4L3MBTL1ALDH1A1
SCHEMBL17261236 0.72 IP6K1 (0.37) PGRALDH1A1IP6K1
SCHEMBL1479795 0.71 IP6K1 (0.41) PGRL3MBTL1IP6K1
SCHEMBL75190 0.70 AVPR1B (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202870-B2 Substituted oxindole derivatives, medicaments containing the latter and use thereof ABBOTT GMBH & CO. KG (DE) 2012-06-19 US disclosed
US-20120136001-A1 SUBSTITUTED OXINDOLE DERIVATIVES, MEDICAMENTS CONTAINING THE LATTER AND USE THEREOF ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-05-31 US disclosed
US-20090215790-A1 Substituted Oxindole Derivatives, Medicaments Containing the Latter and Use Thereof ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2009-08-27 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-20090215790-A1 Substituted Oxindole Derivatives, Medicaments Containing the Latter and Use Thereof OXTR, AVPR2, AVPR1B RXFP1 61/4885PGR 317/4885TRPV4 1606/4885
US-20120136001-A1 SUBSTITUTED OXINDOLE DERIVATIVES, MEDICAMENTS CONTAINING THE LATTER AND USE THEREOF OXTR, AVPR2, AVPR1B RXFP1 65/4885PGR 449/4885TRPV4 1033/4885

“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.