SCHEMBL650615

SCHEMBL650615

CCCCn1c(-c2ccccc2)nc(-c2cccc(C)c2)c1CN(Cc1ccc(C(=O)OC)cc1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.49
PTGDR2 Q9Y5Y4 3/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 3/20 0.37
MAPT P10636 2/20 0.37
AGTR1 P30556 2/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
TLR7 Q9NYK1 2/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 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
SCHEMBL648086 0.95 C5AR1 (0.55) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL651054 0.94 C5AR1 (0.52) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL648162 0.93 C5AR1 (0.48) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL648481 0.93 C5AR1 (0.48) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL650741 0.93 C5AR1 (0.52) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL651607 0.91 C5AR1 (0.51) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL652444 0.91 C5AR1 (0.51) C5AR1MAPTSIRT2GSK3AGSK3B
SCHEMBL649699 0.91 C5AR1 (0.51) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL5136520 0.90 C5AR1 (0.61) C5AR1TSHRMAPTSIRT2MEN1
SCHEMBL651293 0.90 C5AR1 (0.49) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119666-B2 1,2,5-thiazolidine derivatives useful for treating conditions mediated by protein tyrosine phosphatases (PTPase) NOVARTIS AG (CH) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
CN-101878031-A The inhibitors of kinases that is used for the treatment of myeloproliferative disease and other proliferative diseases DECIPHERA PHARMACEUTICALS LLC 2010-11-03 CN disclosed
WO-2010078103-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-08 WO disclosed
US-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) NOVARTIS AG (CH) 2008-11-27 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
CN-1744892-A Breast cancer resistance protein (BCRP) inhibitor YAKULT HONSHA KK (JP) 2006-03-08 CN disclosed
EP-0390915-A4 WHOLLY AROMATIC POLYESTERS OF ISOPHTHALIC ACID, TEREPHTHALIC ACID, P-HYDROXYBENZOIC ACID, HYDROQUINONE AND AN ARYLENE DIOL 1992-07-22 EP disclosed
EP-0390915-A1 WHOLLY AROMATIC POLYESTERS OF ISOPHTHALIC ACID, TEREPHTHALIC ACID, p-HYDROXYBENZOIC ACID, HYDROQUINONE AND AN ARYLENE DIOL. AMOCO CORP (US) 1990-10-10 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 (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-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) PTPRS, PTPN5, PTPRR C5AR1 4453/4885PTGDR2 410/4885CYP2C8 2651/4885

“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.