SCHEMBL4402016

SCHEMBL4402016

CC(C)(C)OC(=O)NCCCNC(=S)NCCc1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CYP3A4 P08684 2/20 0.47
CYP17A1 P05093 1/20 0.45
NAMPT P43490 1/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 2/20 0.43
ALOX12 P18054 2/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL2024124 0.89 CYP17A1 (0.53) CA1CA2CYP3A4CYP17A1NAMPT
SCHEMBL8129760 0.87 CYP3A4 (0.52) CA1CA2CYP3A4CYP17A1TDP1
SCHEMBL25122811 0.85 CYP3A4 (0.54) CA1CA2CYP3A4CYP17A1TDP1
SCHEMBL25122892 0.84 CYP3A4 (0.56) CA1CA2CYP3A4CYP17A1TDP1
SCHEMBL4402193 0.84 CYP17A1 (0.49) CA1CA2CYP3A4CYP17A1SMN1; SMN2
SCHEMBL13592279 0.82 RAB9A (0.40) CA1CA2CYP3A4CYP17A1RAB9A
SCHEMBL23291128 0.82 CYP17A1 (0.59) CA1CA2CYP3A4CYP17A1NAMPT
SCHEMBL30872614 0.81 CYP3A4 (0.52) CA1CA2CYP3A4CYP17A1TDP1
SCHEMBL23291186 0.81 CA1 (0.53) CA1CA2CYP17A1NAMPTRAB9A
SCHEMBL23291309 0.79 EPHX2 (0.60) CA1CA2CYP17A1NAMPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300401-B1 THIAZOLE DERIVATIVES FOR USE AS ANTIINFLAMMATORIES DAINIPPON SUMITOMO PHARMA CO (JP) 2009-12-09 EP disclosed
US-7396842-B2 Five-membered cyclic compounds DIANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-08 US disclosed
US-7396842-B2 Five-membered cyclic compounds DIANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-08 US disclosed
EP-1669070-A2 2-imino-thiazolidine and -oxazolidine derivatives for use as antiinflammatory agents Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-06-14 EP disclosed
US-20050222226-A1 Five-membered cyclic compounds SUMITOMO PHARMACEUTICALS COMPANY, LIMITED 2005-10-06 US disclosed
US-6919361-B2 Five-membered-ring compound SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-07-19 US disclosed
US-20040072827-A1 Five-membered-ring compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2004-04-15 US disclosed
EP-1300401-A1 FIVE-MEMBERED-RING COMPOUND SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-04-09 EP 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 (2 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-20040072827-A1 Five-membered-ring compound EPX, IL5, CCR9 CA1 2736/4885CA2 1019/4885CYP3A4 944/4885
US-20050222226-A1 Five-membered cyclic compounds EPX, CCL11, CCR9 CA1 2846/4885CA2 811/4885CYP3A4 850/4885

“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.