SCHEMBL12644422

SCHEMBL12644422

Cc1cc(/N=N/c2ncc(C(=O)Oc3ccc(F)cc3)o2)cc(C)c1O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.45
▸ BRD4 O60885 8/20 0.41
▸ MAPT P10636 6/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ATM Q13315 1/20 0.38
▸ ALOX5 P09917 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ BRD3 Q15059 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ BRD7 Q9NPI1 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL12644467 0.86 MAPT (0.41) BRD4MAPTKMT2AMEN1BRD3
SCHEMBL13552047 0.85 MAPT (0.43) BRD4MAPTKMT2AALOX5GAA
SCHEMBL12644240 0.81 TTR (0.47) TTRBRD4MAPTKMT2AATM
SCHEMBL12644386 0.81 TTR (0.46) TTRBRD4MAPTKMT2AATM
SCHEMBL12644443 0.80 TTR (0.48) TTRMAPTKMT2AATMALOX5
SCHEMBL12644393 0.80 TTR (0.46) TTRBRD4MAPTKMT2AATM
SCHEMBL12644483 0.79 BRD4 (0.35) BRD4BRD3CREBBPBRD7ALDH1A1
SCHEMBL12644245 0.78 TTR (0.56) TTRBRD4MAPTKMT2AATM
SCHEMBL12644421 0.77 PTGS1 (0.49) TTRMAPTKMT2AATMALOX5
SCHEMBL12643995 0.77 TTR (0.43) TTRBRD4MAPTKMT2AATM

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 1/4885BRD4 4785/4885MAPT 29/4885
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin TTR, TTPA, APOB TTR 1/4885BRD4 4785/4885MAPT 29/4885
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN TTR, TTPA, APOB TTR 1/4885BRD4 4785/4885MAPT 29/4885

“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.

Send feedback