SCHEMBL537188

SCHEMBL537188

CCOc1cc(OC)ccc1C(N)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.44
CTSA P10619 1/20 0.43
HSD17B10 Q99714 2/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
TSHR P16473 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 2/20 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
SCHEMBL6761350 0.90 HSD17B10 (0.49) FFAR1CTSAHSD17B10THRATHRB
SCHEMBL6761354 0.90 HSD17B10 (0.49) FFAR1CTSAHSD17B10THRATHRB
SCHEMBL5368221 0.81 ADRA1A (0.56) CTSAHSD17B10TSHRMAPTLMNA
SCHEMBL9970106 0.80 HTT (0.47) FFAR1CTSAHSD17B10TSHRLMNA
SCHEMBL8759049 0.78 L3MBTL1 (0.48) TSHRLMNAHPGDMAPK1
SCHEMBL12949113 0.78 GAA (0.47) HSD17B10THRATHRBKDM4EMAPT
SCHEMBL3864708 0.78 KDM4E (0.42) FFAR1CTSAHSD17B10TSHRKDM4E
SCHEMBL15490529 0.76 CA12 (0.48) THRBMAPTMAPK1
SCHEMBL21494482 0.75 PDE4A (0.59) TSHRMAPTLMNANPSR1MAPK1
SCHEMBL21494493 0.75 PDE4A (0.59) TSHRMAPTLMNANPSR1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE45685-E1 Pharmaceutically active isoindoline derivatives CELGENE CORPORATION (US) 2015-09-29 US disclosed
EP-1228071-B8 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORP (US) 2012-02-29 EP disclosed
EP-2255801-B1 Pharmaceutically active isoindoline derivatives CELGENE CORP (US) 2012-02-08 EP disclosed
EP-2263669-B1 Pharmaceutically active isoindoline derivatives CELGENE CORP (US) 2012-02-08 EP disclosed
US-8030343-B2 Pharmaceutically active isoindoline derivatives CELGENE CORPORATION (US) 2011-10-04 US disclosed
EP-1698334-B1 Pharmaceutically active isoindoline derivatives CELGENE CORP (US) 2011-04-20 EP disclosed
EP-2263669-A1 Pharmaceutically active isoindoline derivatives CELGENE CORPORATION (US) 2010-12-22 EP disclosed
EP-2255801-A1 Pharmaceutically active isoindoline derivatives CELGENE CORPORATION (US) 2010-12-01 EP disclosed
US-7678825-B2 Pharmaceutically active isoindoline derivates CELGENE CORPORATION (US) 2010-03-16 US disclosed
US-20080221196-A1 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORPORATION 2008-09-11 US disclosed
EP-1228071-B1 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORP (US) 2007-03-28 EP disclosed
EP-1698334-A1 Pharmaceutically active isoindoline derivatives CELGENE CORPORATION (US) 2006-09-06 EP disclosed
US-20040147588-A1 Pharmaceutically active isoindoline derivatives MAN HON-WAH 2004-07-29 US disclosed
US-6667316-B1 Amido or imido functionality; tumor necrosis factor alpha, phosphodiesterases, matrix metalloproteases and angiogenesis inhibitors CELGENE CORPORATION 2003-12-23 US disclosed
EP-1228071-A4 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORP (US) 2002-12-04 EP disclosed
EP-1228071-A1 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORPORATION (US) 2002-08-07 EP disclosed
WO-2001034606-A1 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORPORATION (US) 2001-05-17 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 (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-20080221196-A1 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES PDE3A, PDE2A, PDE5A FFAR1 2102/4885CTSA 4719/4885HSD17B10 2302/4885
US-20040147588-A1 Pharmaceutically active isoindoline derivatives PDE3A, PDE5A, PDE2A FFAR1 2053/4885CTSA 4716/4885HSD17B10 2637/4885

“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.