SCHEMBL1008592

SCHEMBL1008592

O=C(O)C1CC(=O)N(c2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
TSHR P16473 1/20 0.60
NOTUM Q6P988 1/20 0.60
RECQL P46063 1/20 0.53
KMT2A Q03164 4/20 0.53
POLB P06746 2/20 0.53
GRK2 P25098 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
LMNA P02545 1/20 0.51
MEN1 O00255 3/20 0.49
USP2 O75604 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA5B Q9Y2D0 1/20 0.49

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
SCHEMBL1010467 0.88 SMN1; SMN2 (0.50) SMN1; SMN2TSHRNOTUMKMT2APOLB
SCHEMBL5841909 0.86 RECQL (0.62) SMN1; SMN2TSHRNOTUMRECQLKMT2A
SCHEMBL1010673 0.85 SMN1; SMN2 (0.49) SMN1; SMN2TSHRNOTUMKMT2APOLB
Hydrochloric Acid SCHEMBL11747023 0.85 RECQL (0.61) SMN1; SMN2TSHRNOTUMRECQLKMT2A
SCHEMBL5842480 0.82 TSHR (0.68) TSHRRECQLKMT2APOLBGRK2
SCHEMBL1063669 0.81 MAPT (0.47) SMN1; SMN2TSHRNOTUMKMT2APOLB
SCHEMBL11745280 0.81 TSHR (0.67) SMN1; SMN2TSHRNOTUMRECQLKMT2A
SCHEMBL1064969 0.81 SMN1; SMN2 (0.48) SMN1; SMN2NOTUMKMT2ALMNAMEN1
SCHEMBL15677074 0.81 TSHR (0.66) TSHRNOTUMRECQLKMT2APOLB
SCHEMBL14003541 0.81 RECQL (0.62) TSHRRECQLKMT2APOLBGRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268641-B1 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS PVT LTD (IN) 2014-09-03 EP disclosed
EP-2268641-B1 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS PVT LTD (IN) 2014-09-03 EP disclosed
US-8252797-B2 Heterocyclic compounds as adenosine receptor antagonist ADVINUS THERAPEUTICS PVT. LTD. (IN) 2012-08-28 US disclosed
US-8252797-B2 Heterocyclic compounds as adenosine receptor antagonist ADVINUS THERAPEUTICS PVT. LTD. (IN) 2012-08-28 US disclosed
US-8252797-B2 Heterocyclic compounds as adenosine receptor antagonist ADVINUS THERAPEUTICS PVT. LTD. (IN) 2012-08-28 US disclosed
CN-102015712-A Heterocyclic compounds as adenosine receptor antagonist ADVINUS THERAPEUTICS PVT LTD 2011-04-13 CN disclosed
EP-2268641-A2 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST Advinus Therapeutics Pvt. Ltd. (IN) 2011-01-05 EP disclosed
US-20090298744-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS PVT. LTD. (IN) 2009-12-03 US disclosed
US-20090298744-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS PVT. LTD. (IN) 2009-12-03 US disclosed
US-20090298744-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS PVT. LTD. (IN) 2009-12-03 US disclosed
WO-2009118759-A2 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS PVT. LTD., (IN) 2009-10-01 WO disclosed
WO-2009118759-A2 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS PVT. LTD., (IN) 2009-10-01 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 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 (1 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-20090298744-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADORA2A, ADORA3, ADORA1 SMN1; SMN2 3103/4885TSHR 352/4885NOTUM 4006/4885

“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.