SCHEMBL12645083

SCHEMBL12645083

Cc1cc(-c2cc(C(=O)Oc3ccc(F)cc3)cc3ccccc23)cc(C)c1O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.52
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41
▸ NSD2 O96028 1/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ ATM Q13315 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ SERPINE1 P05121 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
SCHEMBL12645091 0.86 SERPINE1 (0.44) TTRNSD2KMT2AMAPTMEN1
SCHEMBL12645078 0.85 MAPT (0.48) KMT2AMAPT
SCHEMBL13551962 0.83 NSD2 (0.36) TTRFNTAFNTBNSD2KMT2A
SCHEMBL12644665 0.83 TTR (0.48) TTRNSD2KMT2AATMLMNA
SCHEMBL12644244 0.81 TTR (0.50) TTRKMT2ALMNAMAPTMEN1
SCHEMBL12645085 0.81 TTR (0.65) TTRFNTAFNTBNSD2KMT2A
SCHEMBL12645086 0.81 TTR (0.48) TTRFNTAFNTBNSD2KMT2A
SCHEMBL12645080 0.81 TTR (0.48) TTRFNTAFNTBNSD2KMT2A
SCHEMBL13552109 0.76 TTR (0.58) TTRKMT2AATMMAPTMEN1
SCHEMBL12644735 0.76 TTR (0.68) TTRKMT2AATMLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771321-B2 Small molecules that covalently modify transthyretin THE SCRIPPS RESEARCH INSTITUTE (US) 2017-09-26 — — US disclosed
US-9771321-B2 Small molecules that covalently modify transthyretin THE SCRIPPS RESEARCH INSTITUTE (US) 2017-09-26 — — US disclosed
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin KELLY JEFFERY W (US) 2017-07-06 — — US disclosed
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin KELLY JEFFERY W (US) 2017-07-06 — — US disclosed
US-20140336254-A1 Small Molecules That Covalently Modify Transthyretin KELLY JEFFERY W (US) 2014-11-13 — — US disclosed
US-20140336254-A1 Small Molecules That Covalently Modify Transthyretin KELLY JEFFERY W (US) 2014-11-13 — — US disclosed
US-8703815-B2 Small molecules that covalently modify transthyretin THE SCRIPPS RESEARCH INSTITUTE (US) 2014-04-22 — — US disclosed
US-8703815-B2 Small molecules that covalently modify transthyretin THE SCRIPPS RESEARCH INSTITUTE (US) 2014-04-22 — — US disclosed
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-25 — — US disclosed
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-25 — — US disclosed
WO-2011075210-A2 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 — — 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 (3 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-20140336254-A1 Small Molecules That Covalently Modify Transthyretin TTR, TTPA, APOB TTR 1/4885FNTA 94/4885FNTB 98/4885
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin TTR, TTPA, APOB TTR 1/4885FNTA 94/4885FNTB 98/4885
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN TTR, TTPA, APOB TTR 1/4885FNTA 94/4885FNTB 98/4885

“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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