SCHEMBL1055478

SCHEMBL1055478

CCC(C(=O)O)n1c(C)c(Sc2ccc(Cl)cc2)c2c1CCCC2=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.46
AKR1B1 P15121 6/20 0.40
CYP2C9 P11712 1/20 0.39
LIPE Q05469 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
OPRM1 P35372 1/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL1055279 0.88 PTGDR2 (0.43) PTGDR2AKR1B1CYP2C9LIPELMNA
SCHEMBL1055280 0.88 PTGDR2 (0.43) PTGDR2AKR1B1CYP2C9LIPELMNA
SCHEMBL1053305 0.80 PTGDR2 (0.55) PTGDR2AKR1B1CYP2C9
SCHEMBL11891657 0.76 KDM4E (0.42) PTGDR2AKR1B1CYP2C9LIPEKDM4E
SCHEMBL1053997 0.68 PTGDR2 (0.67) PTGDR2AKR1B1CYP2C9
SCHEMBL1054190 0.68 PTGDR2 (0.56) PTGDR2AKR1B1CYP2C9
SCHEMBL1050250 0.67 SMN1; SMN2 (0.45) PTGDR2CYP2C9KDM4ESMN1; SMN2LMNA
SCHEMBL11891664 0.67 PTGDR2 (0.52) PTGDR2AKR1B1CYP2C9
SCHEMBL1054690 0.67 PTGDR2 (0.52) PTGDR2AKR1B1CYP2C9
SCHEMBL1054693 0.67 PTGDR2 (0.52) PTGDR2AKR1B1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046394-A1 Pharmaceutical Process and Intermediates 714 ASTRAZENECA AB (SE) 2011-02-24 US disclosed
WO-2011004182-A1 INTERMEDIATES AND PROCESSES FOR THE PREPARATION OF 4- (ACETYLAMINO) ) -3- [ (4-CHLORO-PHENYL) THIO] -2-METHYL-1H-INDOLE-1-ACETIC ACID ASTRAZENECA AB (SE) 2011-01-13 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-20110046394-A1 Pharmaceutical Process and Intermediates 714 CYP3A4, CYP4A11, CYP4B1 PTGDR2 3430/4885AKR1B1 298/4885CYP2C9 10/4885

“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.