SCHEMBL29500331

SCHEMBL29500331

O=[N+]([O-])c1cc(Cl)c(Oc2ccc3c(c2)CCN(Cc2ccc(OC(F)(F)F)cc2)C3)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.51
TNF P01375 1/20 0.47
NOD2 Q9HC29 1/20 0.47
NOD1 Q9Y239 1/20 0.47
ALDH1A1 P00352 1/20 0.42
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
MOGAT2 Q3SYC2 2/20 0.39
TSHR P16473 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ABCB1 P08183 2/20 0.39
ABCC1 P33527 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39

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
SCHEMBL29500354 0.92 ACACB (0.47) ACACBTNFNOD2NOD1OPRM1
SCHEMBL29500350 0.91 ACACB (0.44) ACACBTNFNOD2NOD1OPRM1
SCHEMBL29438615 0.89 DRD2 (0.45) ACACBTNFNOD2NOD1ALDH1A1
SCHEMBL30845476 0.88 ACACB (0.43) ACACBOPRM1OPRD1OPRK1CA2
SCHEMBL30845462 0.88 OPRM1 (0.51) OPRM1OPRD1OPRK1CA2CA9
SCHEMBL29438618 0.87 OPRM1 (0.40) ACACBOPRM1OPRD1OPRK1MOGAT2
SCHEMBL29438670 0.87 OPRM1 (0.40) ACACBOPRM1OPRD1OPRK1MOGAT2
SCHEMBL29438658 0.87 CA9 (0.42) ACACBOPRM1OPRD1OPRK1CA2
SCHEMBL29438663 0.86 OPRM1 (0.43) ACACBOPRM1OPRD1OPRK1CA2
SCHEMBL29500296 0.85 ACACB (0.52) ACACBTNFNOD2NOD1ALDH1A1

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-20240025875-A1 A COMPOUND AS A THYROID HORMONE BETA RECEPTOR AGONIST AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2024-01-25 US disclosed
WO-2022057845-A1 COMPOUND SERVING AS THYROID HORMONE β RECEPTOR AGONIST AND USES OF COMPOUND 广东东阳光药业有限公司 2022-03-24 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-20240025875-A1 A COMPOUND AS A THYROID HORMONE BETA RECEPTOR AGONIST AND USE THEREOF THRB, TSHR, THRA ACACB 1084/4885TNF 1623/4885NOD2 3117/4885

“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.