SCHEMBL243227

SCHEMBL243227

O=CC(Nc1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.45
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP2D6 P10635 1/20 0.41
TP53 P04637 1/20 0.41
EPHX1 P07099 1/20 0.41
EPHX2 P34913 1/20 0.41
CDK9 P50750 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
HSD17B10 Q99714 3/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL6242825 1.00 CASP1 (0.45) CASP1CA12CA9ALDH1A1TSHR
SCHEMBL10713625 0.89 MMP8 (0.50) CASP1ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL27700710 0.84 HSD17B10 (0.45) CA12CA9ALDH1A1TSHRTDP1
SCHEMBL1140146 0.82 MMP2 (0.46) CASP1CA12ALDH1A1TDP1SMN1; SMN2
SCHEMBL29139680 0.82 NPC1 (0.41) CA9ALDH1A1TSHRSMN1; SMN2EPHX1
SCHEMBL4211263 0.82 MMP2 (0.46) CA12CA9TSHRSMN1; SMN2LMNA
SCHEMBL5539582 0.82 TGM2 (0.47) CA12CA9ALDH1A1TSHRTDP1
SCHEMBL8536400 0.82 CA12 (0.42) CA12CA9ALDH1A1TSHRTDP1
SCHEMBL4350738 0.78 RAB9A (0.49) ALDH1A1TSHRTDP1SMN1; SMN2CYP2D6
SCHEMBL9096879 0.76 NPC1 (0.37) CASP1CA12CA9ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445886-B1 4-AMINOQUINOLINE DERIVATIVES AS PI3K INHIBITORS AMGEN INC (US) 2016-03-30 EP disclosed
US-8940724-B2 Quinoline derivitives and their uses AMGEN INC. (US) 2015-01-27 US disclosed
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-20130143882-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-06-06 US disclosed
EP-2588477-A1 QUINOLINES AS PI3K INHIBITORS Amgen Inc. (US) 2013-05-08 EP disclosed
EP-2588471-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
EP-2588473-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS AS PIK3 -DELTA INHIBITORS Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
US-20130079342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. 2013-03-28 US disclosed
EP-2445886-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen, Inc (US) 2012-05-02 EP disclosed
EP-2445902-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AS INHIBITORS OF PI3K ACTIVITY Amgen, Inc (US) 2012-05-02 EP disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
WO-2012003264-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS AS PIK3 -DELTA INHIBITORS AMGEN INC. (US) 2012-01-05 WO disclosed
WO-2012003278-A1 QUINOLINES AS P13K INHIBITORS AMGEN INC. (US) 2012-01-05 WO disclosed
WO-2012003283-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 US disclosed
WO-2010151737-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed
WO-2010151791-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed
EP-1545456-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING KETO-ACIDS FOR ENDOPERITONEAL ADMINISTRATION Medestea Research & Production S.R.L. (IT) 2005-06-29 EP disclosed
WO-2004012706-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING KETO-ACIDS FOR ENDOPERITONEAL ADMINISTRATION MEDESTEA RESEARCH & PRODUCTION S.R.L. (IT) 2004-02-12 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 (5 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-20130079342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 CASP1 2291/4885CA12 3118/4885CA9 2515/4885
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 CASP1 2835/4885CA12 3055/4885CA9 2629/4885
US-20130143882-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES PI4KB, PI4KA, PIK3C3 CASP1 1130/4885CA12 4257/4885CA9 3225/4885
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 CASP1 2835/4885CA12 3055/4885CA9 2629/4885
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 CASP1 2637/4885CA12 3185/4885CA9 3426/4885

“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.