SCHEMBL12645091

SCHEMBL12645091

Cc1cc(-c2cc(C(=O)Oc3ccccc3F)cc3ccccc23)cc(C)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 1/20 0.44
▸ SLC2A1 P11166 1/20 0.40
▸ SLC2A4 P14672 1/20 0.40
▸ ALOX5 P09917 2/20 0.38
▸ PTGES O14684 1/20 0.38
▸ TTR P02766 2/20 0.37
▸ ESR1 P03372 4/20 0.37
▸ ESR2 Q92731 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ SELL P14151 1/20 0.36
▸ SELP P16109 1/20 0.36
▸ SRD5A1 P18405 1/20 0.36
▸ SRD5A2 P31213 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ GAA P10253 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
SCHEMBL12645083 0.86 TTR (0.52) SERPINE1TTRMEN1KMT2AMAPT
SCHEMBL12644604 0.84 SERPINE1 (0.40) SERPINE1SLC2A1SLC2A4TTRESR1
SCHEMBL12645074 0.81 PTGS1 (0.52) SERPINE1SLC2A1SLC2A4ALOX5PTGES
SCHEMBL12645081 0.81 SERPINE1 (0.40) SERPINE1SLC2A1SLC2A4ALOX5PTGES
SCHEMBL12645087 0.81 PTGS1 (0.43) SERPINE1SLC2A1SLC2A4ALOX5PTGES
SCHEMBL12644185 0.80 MAPT (0.39) SERPINE1SLC2A1SLC2A4TTRESR1
SCHEMBL13552112 0.79 SERPINE1 (0.48) SERPINE1SLC2A1SLC2A4TTRESR1
SCHEMBL13551962 0.79 NSD2 (0.36) TTRMEN1KMT2AMAPTNSD2
SCHEMBL12644839 0.77 SLC2A1 (0.50) SERPINE1SLC2A1SLC2A4TTRESR1
SCHEMBL12645078 0.76 MAPT (0.48) ALOX5PTGESKMT2AGAAMAPT

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 SERPINE1 429/4885SLC2A1 2225/4885SLC2A4 2617/4885
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin TTR, TTPA, APOB SERPINE1 429/4885SLC2A1 2225/4885SLC2A4 2617/4885
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN TTR, TTPA, APOB SERPINE1 429/4885SLC2A1 2225/4885SLC2A4 2617/4885

“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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