SCHEMBL5091109

SCHEMBL5091109

CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1)c1cccc(C(=O)OCc2oc(=O)oc2C)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 15/20 0.44
AGTR1 P30556 4/20 0.40
ABCC3 O15438 1/20 0.40
ABCC4 O15439 1/20 0.40
ABCB11 O95342 1/20 0.40
CYP3A4 P08684 1/20 0.40
AGTR2 P50052 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3A Q14432 1/20 0.40
SLCO1B3 Q9NPD5 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.40

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
SCHEMBL5091179 0.90 LTB4R2 (0.52) LTB4R2AGTR1
SCHEMBL5099501 0.84 LTB4R2 (0.57) LTB4R2AGTR1
SCHEMBL5091114 0.82 LTB4R2 (0.43) LTB4R2AGTR1
SCHEMBL5089013 0.82 LTB4R2 (0.48) LTB4R2AGTR1ABCC3ABCC4ABCB11
SCHEMBL94332 0.73 AGTR1 (0.74) AGTR1ABCC3ABCC4ABCB11CYP3A4
SCHEMBL16239690 0.73 AGTR1 (0.59) AGTR1ABCC3ABCC4ABCB11CYP3A4
SCHEMBL28459370 0.71 AGTR1 (0.56) LTB4R2AGTR1ABCB11AGTR2
SCHEMBL2930431 0.70 AGTR1 (0.66) LTB4R2AGTR1ABCB11AGTR2
SCHEMBL28456708 0.70 AGTR1 (0.66) LTB4R2AGTR1ABCB11AGTR2
SCHEMBL12787574 0.70 AGTR1 (0.53) LTB4R2AGTR1ABCB11AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417052-B2 Phenylene derivative having tetrazole ring or thiazolidinedione ring SANKYO COMPANY, LIMITED (JP) 2008-08-26 US disclosed
US-20070105846-A1 Phenylene derivative having tetrazole ring or thiazolidinedione ring RENASCIENCE CO., LTD (JP) 2007-05-10 US disclosed
EP-1679310-A1 PHENYLENE DERIVATIVE HAVING TETRAZOLE RING OR THIAZOLIDINEDIONE RING Sankyo Company, Limited (JP) 2006-07-12 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-20070105846-A1 Phenylene derivative having tetrazole ring or thiazolidinedione ring JAK2, ABL1, CYP3A5 LTB4R2 1259/4885AGTR1 41/4885ABCC3 411/4885

“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.