SCHEMBL4040282

SCHEMBL4040282

CC(C[CH]C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.35
PREP P48147 3/20 0.35
FAP Q12884 2/20 0.35
CTSK P43235 2/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
MAPK1 P28482 1/20 0.32
VNN1 O95497 1/20 0.31
SORT1 Q99523 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 2/20 0.31
RAB9A P51151 1/20 0.30

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
SCHEMBL6240091 0.92 PREP (0.37) PIK3CDPREPFAPCTSKDPP4
SCHEMBL4039217 0.87 HSD17B10 (0.40) ALDH1A1GAA
SCHEMBL4050761 0.86 PIK3CD (0.42) PIK3CDPREPFAPCTSKDPP4
SCHEMBL4040334 0.86 TBXAS1 (0.36) PREPFAPDPP4DPP8DPP9
SCHEMBL4044949 0.85 SMYD3 (0.38) VNN1ALDH1A1
SCHEMBL4043173 0.85 MAPK1 (0.33) PREPFAPCTSKDPP4DPP8
SCHEMBL4039452 0.84 CTSK (0.32) CTSK
SCHEMBL4042070 0.83 KMT2A (0.33) PREPFAPDPP4DPP8DPP9
SCHEMBL4045677 0.82 HSD11B1 (0.34)
SCHEMBL6209880 0.82 PREP (0.35) PIK3CDPREPFAPCTSKDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
EP-2027126-A2 CRYSTALLINE FORMS OF 5-CHLORO-6- (2, 6-DIFLUORO-4-[3- (METHYLAMINO) PROPOXY] PHENYL)-N-((1S)-2, 2, 2,-TRIFLUORO-1-METHYLETHYL][1,2,4]TRIAZOLO [1,5-A]PYRIMIDIN-7-AMINE SALTS Wyeth Holdings Corporation (US) 2009-02-25 EP disclosed
WO-2007136692-A2 CRYSTALLINE FORMS OF 5-CHLORO-6- (2, 6-DIFLUORO-4- [3- (METHYLAMINO) PROPOXY] PHENYL)-N-((1S)-2, 2, 2,-TRIFLUORO-1-METHYLETHYL] [1,2,4] TRIAZOLO [1,5-A] PYRIMIDIN-7-AMINE SALTS WYETH HOLDINGS CORPORATION (US) 2007-11-29 WO disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS PIK3CD 4141/4885PREP 1823/4885FAP 3455/4885

“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.