SCHEMBL624006

SCHEMBL624006

Nc1ccnc2cc(F)ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.61
SOS2 Q07890 1/20 0.61
NCF1 P14598 1/20 0.53
FERMT2 Q96AC1 1/20 0.53
GAK O14976 1/20 0.42
GRM4 Q14833 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ACHE P22303 1/20 0.39
MAP4K4 O95819 1/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
NSD3 Q9BZ95 3/20 0.38
NSD2 O96028 1/20 0.38
MYC P01106 1/20 0.38
ACVR1 Q04771 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
BACE1 P56817 1/20 0.37
GRM5 P41594 1/20 0.37
CCNB2 O95067 2/20 0.37
CDK1 P06493 2/20 0.37

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
SCHEMBL3854038 1.00 NR4A2 (0.61) NR4A2SOS2NCF1FERMT2GAK
SCHEMBL16446547 0.84 NR4A2 (0.61) NR4A2SOS2NCF1FERMT2GAK
SCHEMBL3073397 0.79 NR4A2 (0.66) NR4A2SOS2NCF1ALDH1A1ACHE
SCHEMBL30044428 0.79 NR4A2 (0.66) NR4A2SOS2NCF1ALDH1A1ACHE
SCHEMBL6660966 0.77 GRM4 (0.56) FERMT2GAKGRM4NSD3NSD2
SCHEMBL596040 0.76 NR4A2 (1.00) NR4A2SOS2NCF1FERMT2ALDH1A1
SCHEMBL16705392 0.76 FERMT2 (0.49) NR4A2SOS2FERMT2GAKGRM4
SCHEMBL4619603 0.76 FERMT2 (0.49) FERMT2GAKGRM4CCNCCDK8
SCHEMBL3319590 0.76 NR4A2 (0.61) NR4A2SOS2NCF1FERMT2GAK
SCHEMBL3071029 0.76 NR4A2 (0.61) NR4A2SOS2NCF1ALDH1A1ACHE

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-20180086751-A1 SWEETENER COMPOSITION SENOMYX, INC. 2018-03-29 US disclosed
US-9902737-B2 Sweet flavor modifier SENOMYX, INC. (US) 2018-02-27 US disclosed
US-20160251372-A1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED 2016-09-01 US disclosed
US-20150265711-A1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED 2015-09-24 US disclosed
US-20150245642-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER FIRMENICH INCORPORATED 2015-09-03 US disclosed
US-9049878-B2 Sweet flavor modifier SENOMYX, INC. (US) 2015-06-09 US disclosed
US-9000054-B2 Method of improving stability of sweet enhancer and composition containing stabilized sweet enhancer SENOMYX, INC. (US) 2015-04-07 US disclosed
US-20140128481-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. (US) 2014-05-08 US disclosed
EP-2603098-A2 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER Senomyx, Inc. (US) 2013-06-19 EP disclosed
US-20120041078-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER SENOMYX, INC. (US) 2012-02-16 US disclosed
WO-2012021837-A2 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER SENOMYX, INC. (US) 2012-02-16 WO disclosed
US-20110245353-A1 SWEET FLAVOR MODIFIER SENOMYS, INC. (US) 2011-10-06 US disclosed
EP-1567477-B1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS NOVARTIS AG (CH) 2009-09-09 EP disclosed
US-7202364-B2 Certain phenylacetic acids and derivatives NOVARTIS, AG (CH) 2007-04-10 US disclosed
EP-1567477-A1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS Novartis AG (CH) 2005-08-31 EP disclosed
US-20040132769-A1 Certain phenylacetic acids and derivatives NOVARTIS AG (CH) 2004-07-08 US disclosed
WO-2004048314-A1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS NOVARTIS AG (CH) 2004-06-10 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 (8 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-20120041078-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER TFEB, TREH, SLC2A8 NR4A2 2211/4885SOS2 868/4885NCF1 2070/4885
US-20150245642-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER TFEB, TREH, SLC2A8 NR4A2 2211/4885SOS2 868/4885NCF1 2070/4885
US-20110245353-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 NR4A2 3067/4885SOS2 3976/4885NCF1 2295/4885
US-20040132769-A1 Certain phenylacetic acids and derivatives CYP2A6, HCAR2, CYP2B6 NR4A2 795/4885SOS2 4388/4885NCF1 2304/4885
US-20150265711-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 NR4A2 3067/4885SOS2 3976/4885NCF1 2295/4885
US-20180086751-A1 SWEETENER COMPOSITION TAS2R50, TAS1R2, TAS2R10 NR4A2 3230/4885SOS2 1367/4885NCF1 3002/4885
US-20140128481-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 NR4A2 3067/4885SOS2 3976/4885NCF1 2295/4885
US-20160251372-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 NR4A2 3067/4885SOS2 3976/4885NCF1 2295/4885

“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.