SCHEMBL12644429

SCHEMBL12644429

Cc1cc(CCc2cnc(C(=O)Oc3ccc(F)cc3)nc2)cc(C)c1O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 3/20 0.54
▸ PTGS2 P35354 3/20 0.54
▸ TTR P02766 1/20 0.46
▸ MAPT P10636 5/20 0.41
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ ATM Q13315 2/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ MAOB P27338 2/20 0.36
▸ MAOA P21397 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ ALOX5 P09917 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
SCHEMBL13551978 0.86 PTGS1 (0.55) PTGS1PTGS2TTRMAPTPOLB
SCHEMBL13551992 0.84 MAPT (0.44) MAPTKMT2AMEN1ALDH1A1MAOB
SCHEMBL12644421 0.84 PTGS1 (0.49) PTGS1PTGS2TTRMAPTPOLB
SCHEMBL13552002 0.84 TTR (0.49) PTGS1PTGS2TTRMAPTKMT2A
SCHEMBL13551993 0.83 PTGS1 (0.48) PTGS1PTGS2MAPTPOLBKMT2A
SCHEMBL13551990 0.83 TTR (0.64) PTGS1PTGS2TTRKMT2AALOX5
SCHEMBL12644171 0.83 PTGS1 (0.48) PTGS1PTGS2TTRMAPTPOLB
SCHEMBL13552006 0.82 PTGS1 (0.36) PTGS1PTGS2KMT2A
SCHEMBL12643993 0.81 PTGS1 (0.49) PTGS1PTGS2TTRMAPTPOLB
SCHEMBL12644217 0.81 PTGS1 (0.66) PTGS1PTGS2TTRMAPTPOLB

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 PTGS1 3544/4885PTGS2 3961/4885TTR 1/4885
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin TTR, TTPA, APOB PTGS1 3544/4885PTGS2 3961/4885TTR 1/4885
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN TTR, TTPA, APOB PTGS1 3544/4885PTGS2 3961/4885TTR 1/4885

“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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