SCHEMBL2787252

SCHEMBL2787252

O=C(O)Cc1cc(Br)c(Oc2ccc(O)c(C(=O)NCCCc3ccccc3)c2)c(Br)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 19/20 1.00
THRA P10827 17/20 1.00
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 1/20 0.53
NLRP1 Q9C000 1/20 0.53

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
SCHEMBL2788928 0.97 THRB (1.00) THRBTHRA
SCHEMBL2787226 0.94 THRB (1.00) THRBTHRA
SCHEMBL2788940 0.89 THRB (0.90) THRBTHRA
SCHEMBL2813680 0.88 THRB (1.00) THRBTHRA
SCHEMBL12312512 0.86 THRB (0.85) THRBTHRA
SCHEMBL2786615 0.85 THRB (0.80) THRBTHRA
SCHEMBL2785273 0.85 THRB (1.00) THRBTHRA
SCHEMBL2786563 0.85 THRB (0.83) THRBTHRA
SCHEMBL2789531 0.84 THRB (0.78) THRBTHRA
SCHEMBL2785274 0.84 THRB (1.00) THRBTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557143-B2 Thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 US claimed
US-8263659-B2 Thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-11 US disclosed
US-20100298276-A1 THYROID RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2010-11-25 US disclosed
US-7557143-B2 Thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 US disclosed
US-20050004184-A1 Thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY 2005-01-06 US 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 (2 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-20100298276-A1 THYROID RECEPTOR LIGANDS TSHR, THRA, THRB THRB 3/4885THRA 2/4885NPC1 4394/4885
US-20050004184-A1 Thyroid receptor ligands TSHR, THRA, THRB THRB 3/4885THRA 2/4885NPC1 4394/4885

“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.