SCHEMBL282301

SCHEMBL282301

COc1ccc([I+]c2ccc(OC)cc2)cc1.F[B-](F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA12 O43570 1/20 0.52
CA14 Q9ULX7 1/20 0.52
ACHE P22303 2/20 0.44
TDP1 Q9NUW8 3/20 0.42
MAPK1 P28482 2/20 0.42
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL757330 0.92 CA4 (0.50) CA1CA2CA7CA9CA12
SCHEMBL10456836 0.92 CA4 (0.50) CA1CA2CA7CA9CA12
SCHEMBL144129 0.90 CA1 (0.65) CA1CA2CA7CA9CA12
Fluoride Ion SCHEMBL245850 0.87 CA1 (0.61) CA1CA2CA7CA9CA12
Iodide SCHEMBL10788331 0.87 CA1 (0.61) CA1CA2CA7CA9CA12
Bromide SCHEMBL8745388 0.87 CA1 (0.61) CA1CA2CA7CA9CA12
Hydrochloric Acid SCHEMBL4175940 0.87 CA1 (0.61) CA1CA2CA7CA9CA12
SCHEMBL6545093 0.82 CA1 (0.48) CA1CA2CA7CA9CA12
Bromide SCHEMBL10826980 0.81 ESR2 (0.54) CA1CA2CA7CA9CA12
SCHEMBL13401281 0.81 ACHE (0.71) CA1CA2CA7CA9CA12

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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5334699-A Polymeric initiator compounds XEROX CORPORATION (US) 1994-08-02 US claimed
US-10421727-B2 Compounds useful as modulators of TRPM8 FIRMENICH INCORPORATED (US) 2019-09-24 US disclosed
US-20170369447-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED 2017-12-28 US disclosed
US-9840471-B2 Compounds useful as modulators of TRPM8 SENOMYX, INC. (US) 2017-12-12 US disclosed
US-20150376136-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX, INC. 2015-12-31 US disclosed
EP-1689383-B1 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS INC (US) 2012-10-31 EP disclosed
US-8263659-B2 Thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-11 US disclosed
EP-2428516-A1 Novel phosphorus-containing thyromimetics Metabasis Therapeutics, Inc. (US) 2012-03-14 EP disclosed
US-20100298276-A1 THYROID RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2010-11-25 US disclosed
US-7829552-B2 Phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. (US) 2010-11-09 US disclosed
US-6326398-B1 Oxamic acids and derivatives as thyroid receptor ligands PFIZER INC. 2001-12-04 US disclosed
EP-1157001-A1 OXAMIC ACIDS AND DERIVATIVES AS THYROID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2001-11-28 EP disclosed
EP-1148054-A1 Thyroid receptor ligands Pfizer Products Inc. (US) 2001-10-24 EP disclosed
WO-2001047859-A1 COMPOUNDS ACTIVE AT THE GLUCOCORTICOID RECEPTOR KARO BIO AB (SE) 2001-07-05 WO disclosed
WO-2000051971-A1 OXAMIC ACIDS AND DERIVATIVES AS THYROID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2000-09-08 WO disclosed
EP-0580550-B1 Oxamic acid derivatives as hypocholesteremic agents CIBA GEIGY AG (CH) 1997-10-22 EP disclosed
US-5654468-A ANTILIPID, ANTICHOLESTEROL AGENTS CIBA-GEIGY CORPORATION (US) 1997-08-05 US disclosed
US-5569674-A ANTICHOLESTEROL AGENTS CIBA-GEIGY CORPORATION (US) 1996-10-29 US disclosed
US-5334699-A Polymeric initiator compounds XEROX CORPORATION (US) 1994-08-02 US disclosed
EP-0580550-A1 Oxamic acid derivatives as hypocholesteremic agents CIBA-GEIGY AG (CH) 1994-01-26 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 (4 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-10421727-B2 Compounds useful as modulators of TRPM8 TRPM8, TRPM7, TRPA1 CA1 387/4885CA2 155/4885CA7 543/4885
US-20100298276-A1 THYROID RECEPTOR LIGANDS TSHR, THRA, THRB CA1 1663/4885CA2 1011/4885CA7 1048/4885
US-20150376136-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM7, TRPA1 CA1 387/4885CA2 155/4885CA7 543/4885
US-20170369447-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM7, TRPA1 CA1 387/4885CA2 155/4885CA7 543/4885

“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.