SCHEMBL5419084

SCHEMBL5419084

O=C(O)C(Cc1ccc(Cl)cc1I)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
PPARA Q07869 6/20 0.39
PPARG P37231 5/20 0.39
IDO1 P14902 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR4A2 P43354 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
EPHX1 P07099 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
SCHEMBL11458388 0.81 IDO1 (0.49) PPARAIDO1ALDH1A1TSHRCASP1
SCHEMBL3365496 0.78 KEAP1 (0.50) CYP2C9
SCHEMBL5429266 0.75 FFAR1 (0.49) ALDH1A1TSHR
SCHEMBL1196919 0.74 ALDH1A1 (0.46) PPARGALDH1A1TSHR
SCHEMBL1197989 0.72 IDO1 (0.41) KMT2AIDO1CASP1SMN1; SMN2CYP1A2
SCHEMBL4280341 0.72 IDO1 (0.40) KMT2AIDO1CASP1SMN1; SMN2CYP1A2
SCHEMBL31454434 0.72 IDO1 (0.41) KMT2AIDO1CASP1SMN1; SMN2CYP1A2
SCHEMBL28322156 0.72 HDAC8 (0.47) IDO1TSHRCASP1SMN1; SMN2NR4A2
SCHEMBL11017578 0.71 LDHA (0.55) KMT2APPARAPPARGALDH1A1TSHR
SCHEMBL11567392 0.70 IDO1 (0.32) KMT2AIDO1CYP1A2CYP3A4CYP2C9

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-20070249686-A1 Modulators of Crth-2 Receptor Activity for the Treatment of Prostaglandin D2 Mediated Diseases ASTRAZENECA AB (SE) 2007-10-25 US disclosed
EP-1799658-A2 MODULATORS OF CRTH2 REZEPTOR ACTIVITY FOR THE TREATMENT OF PROSTAGLANDIN D2 MEDIATED DISEASES AstraZeneca AB (SE) 2007-06-27 EP disclosed
WO-2006037982-A2 MODULATORS OF CRTH2 RECEPTOR ACTIVITY FOR THE TREATMENT OF PROSTAGLANDIN D2 MEDIATED DISEASES ASTRAZENECA AB (SE) 2006-04-13 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-20070249686-A1 Modulators of Crth-2 Receptor Activity for the Treatment of Prostaglandin D2 Mediated Diseases PTGDR2, PTGDR, PTGER2 KMT2A 4020/4885PPARA 212/4885PPARG 114/4885

“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.