SCHEMBL3607183

SCHEMBL3607183

CC(C)SCc1cc(=O)[nH]c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.47
GPR84 Q9NQS5 3/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
CA1 P00915 1/20 0.41
HSD17B10 Q99714 3/20 0.41
TYMP P19971 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
TYR P14679 1/20 0.36
UNG P13051 1/20 0.36
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
MEN1 O00255 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL14426634 0.82 SMN1; SMN2 (0.44) RAB9AGPR84ALDH1A1SMN1; SMN2CA1
SCHEMBL8054102 0.79 RAB9A (0.51) RAB9AGPR84ALDH1A1SMN1; SMN2CA1
SCHEMBL21961223 0.77 SOD1 (0.49) ALDH1A1MAPTKMT2ATYRMEN1
SCHEMBL10130747 0.75 GPR84 (0.50) RAB9AGPR84ALDH1A1SMN1; SMN2CA1
SCHEMBL5071203 0.71 GPR84 (0.60) RAB9AGPR84SMN1; SMN2CA1HSD17B10
SCHEMBL8063605 0.70 GPR84 (0.58) RAB9AGPR84ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL14426633 0.69 ALDH1A1 (0.54) RAB9AGPR84ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL9765927 0.69 GPR84 (0.53) RAB9AGPR84ALDH1A1SMN1; SMN2CA1
SCHEMBL12775736 0.68 GPR84 (0.56) RAB9AGPR84ALDH1A1SMN1; SMN2CA1
SCHEMBL2775601 0.68 GPR84 (0.72) GPR84SMN1; SMN2CA1HSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144784-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-05-12 US disclosed
US-11155525-B2 Azole derivatives as apelin receptor agonist Sanford Burnham Prebys Medical Discovery Institute (US) 2021-10-26 US disclosed
US-20200347022-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-11-05 US disclosed
US-10626096-B2 Azole derivatives as apelin receptor agonist Sanford Burnham Prebys Medical Discovery Institute (US) 2020-04-21 US disclosed
EP-2057140-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2012-08-08 EP disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
EP-2074118-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2009-07-01 EP disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
WO-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 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 (6 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-20090018134-A1 Compounds - 945 MTOR, PIK3CA, PIK3R5 RAB9A 434/4885GPR84 3144/4885ALDH1A1 2861/4885
US-20080171743-A1 Transcutaneous immunostimulation NFATC1, TLR9, MTOR RAB9A 1308/4885GPR84 2452/4885ALDH1A1 3243/4885
US-11155525-B2 Azole derivatives as apelin receptor agonist APLNR, AGTR1, AGTR2 RAB9A 3035/4885GPR84 74/4885ALDH1A1 2642/4885
US-20200347022-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST APLNR, AGTR1, AGTR2 RAB9A 2687/4885GPR84 84/4885ALDH1A1 2968/4885
US-20220144784-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST APLNR, AGTR1, AGTR2 RAB9A 2791/4885GPR84 74/4885ALDH1A1 2845/4885
US-10626096-B2 Azole derivatives as apelin receptor agonist APLNR, AGTR1, AGTR2 RAB9A 3044/4885GPR84 74/4885ALDH1A1 2622/4885

“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.