SCHEMBL4401127

SCHEMBL4401127

CCCN(NC(=S)Nc1cccc2c1OCO2)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
MAPK1 P28482 2/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
ALOX12 P18054 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
ABCB1 P08183 1/20 0.37
FLT1 P17948 1/20 0.37
ACVRL1 P37023 1/20 0.36
GAA P10253 3/20 0.35
FAAH O00519 1/20 0.35
HTT P42858 1/20 0.35
P2RX4 Q99571 2/20 0.34
KDM4C Q9H3R0 1/20 0.34

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
SCHEMBL4401130 0.72 LMNA (0.47) ALDH1A1HPGDMAPK1POLBKDM4E
SCHEMBL4025660 0.72 POLB (0.57) ALDH1A1HPGDMAPK1POLBKDM4E
SCHEMBL6316842 0.71 LMNA (0.56) ALDH1A1HPGDMAPK1POLBKDM4E
SCHEMBL9222529 0.71 SMN1; SMN2 (0.53) ALDH1A1HPGDMAPK1POLBKDM4E
SCHEMBL17509878 0.69 ALDH1A1 (0.61) ALDH1A1HPGDMAPK1POLBKDM4E
SCHEMBL6823246 0.68 KDM4E (0.56) ALDH1A1HPGDMAPK1POLBKDM4E
SCHEMBL6927430 0.68 ALDH1A1 (0.49) ALDH1A1HPGDMAPK1POLBKDM4E
SCHEMBL30767870 0.68 PTGS2 (0.56) ALDH1A1HPGDMAPK1POLBKDM4E
SCHEMBL30767873 0.67 PTGS2 (0.49) ALDH1A1HPGDMAPK1POLBKDM4E
SCHEMBL30767862 0.67 KMT2A (0.59) ALDH1A1HPGDMAPK1POLBKDM4E

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 7 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
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 ALDH1A1 3257/4885HPGD 1062/4885MAPK1 572/4885
US-20050222226-A1 Five-membered cyclic compounds EPX, CCL11, CCR9 ALDH1A1 3404/4885HPGD 752/4885MAPK1 730/4885

“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.