SCHEMBL1642728

SCHEMBL1642728

Cc1cc2[nH]c(C(=O)O)c(C)c2c(C)c1Oc1ccc(O)c(S(=O)(=O)c2ccc(F)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 11/20 0.45
▸ THRA P10827 9/20 0.45
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ GAA P10253 3/20 0.39
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ GFER P55789 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ PKM P14618 1/20 0.33

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
SCHEMBL6273741 0.87 THRB (0.42) THRBTHRAMEN1KMT2AGAA
SCHEMBL6269592 0.86 THRB (0.45) THRBTHRAMEN1KMT2AGAA
SCHEMBL1640505 0.83 THRB (0.47) THRBTHRAMEN1KMT2AGAA
SCHEMBL1641910 0.80 THRB (0.54) THRBTHRA
SCHEMBL6275290 0.80 PTGS1 (0.40) THRBTHRAMEN1KMT2AGAA
SCHEMBL1642997 0.80 THRA (0.54) THRBTHRA
SCHEMBL6854726 0.76 THRB (0.43) THRBTHRAMEN1KMT2AGAA
SCHEMBL1640873 0.76 THRA (0.73) THRBTHRA
SCHEMBL4961754 0.76 GAA (0.41) THRBTHRAMEN1KMT2AGAA
SCHEMBL7592718 0.76 SOS1 (0.47) THRBTHRAMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098303-A1 Method of promoting nail growth using thyromimetic compounds DOHERTY NIALL S 2011-04-28 — — US claimed
EP-1297833-B1 Indole carboxylic acids as thyroid receptor ligands PFIZER PROD INC (US) 2005-12-21 — — EP claimed
US-6723744-B2 FOR THERAPY OF OBESITY, OVERWEIGHT CONDITION, HYPERLIPIDEMIA, GLAUCOMA, CARDIAC ARRHYTHMIAS, SKIN DISORDER, THYROID DISEASE, HYPOTHYROIDISM, THYROID CANCER, DIABETES, ATHEROSCLEROSIS, HYPERTENSION, CORONARY HEART DISEASE, HYPERCHOLESTEREMIA PFIZER, INC. 2004-04-20 — — US claimed
US-20030078289-A1 Indole carboxylic acids as thyroid receptor ligands ASPNES GARY E (US) 2003-04-24 — — US claimed
EP-1297833-A1 Indole carboxylic acids as thyroid receptor ligands Pfizer Products Inc. (US) 2003-04-02 — — EP claimed
US-20110098303-A1 Method of promoting nail growth using thyromimetic compounds DOHERTY NIALL S 2011-04-28 — — US disclosed
EP-1297833-B1 Indole carboxylic acids as thyroid receptor ligands PFIZER PROD INC (US) 2005-12-21 — — EP disclosed
US-6723744-B2 FOR THERAPY OF OBESITY, OVERWEIGHT CONDITION, HYPERLIPIDEMIA, GLAUCOMA, CARDIAC ARRHYTHMIAS, SKIN DISORDER, THYROID DISEASE, HYPOTHYROIDISM, THYROID CANCER, DIABETES, ATHEROSCLEROSIS, HYPERTENSION, CORONARY HEART DISEASE, HYPERCHOLESTEREMIA PFIZER, INC. 2004-04-20 — — US disclosed
US-20030078289-A1 Indole carboxylic acids as thyroid receptor ligands ASPNES GARY E (US) 2003-04-24 — — US disclosed
EP-1297833-A1 Indole carboxylic acids as thyroid receptor ligands Pfizer Products Inc. (US) 2003-04-02 — — 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 (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-20110098303-A1 Method of promoting nail growth using thyromimetic compounds TPO, POLR1C, TYR THRB 29/4885THRA 21/4885MEN1 1016/4885
US-20030078289-A1 Indole carboxylic acids as thyroid receptor ligands THRA, MC1R, THRB THRB 3/4885THRA 1/4885MEN1 1148/4885

“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.

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