SCHEMBL13552004

SCHEMBL13552004

Cc1cc(-c2cnc(C(=O)Oc3cncnc3)nc2)cc(C)c1O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ FYN P06241 5/20 0.37
▸ ERN1 O75460 2/20 0.35
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ JAK3 P52333 1/20 0.32
▸ CYP1A2 P05177 3/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ GPR84 Q9NQS5 1/20 0.31
▸ GRM5 P41594 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31

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
SCHEMBL13551977 0.83 KMT2A (0.40) CA1CA2FYNKMT2AGPR84
SCHEMBL13552006 0.83 PTGS1 (0.36) KMT2ACYP1A2CYP2C9
SCHEMBL13552008 0.83 TTR (0.43) CYP1A2CYP2C9CYP3A4
SCHEMBL13552007 0.83 BRD4 (0.38) KMT2A
SCHEMBL13552012 0.82 KMT2A (0.33) CA1CA2KMT2ACYP1A2CYP2C9
SCHEMBL13552002 0.81 TTR (0.49) CA1CA2FYNKMT2A
SCHEMBL13552116 0.81 KMT2A (0.42) KMT2A
SCHEMBL12644737 0.77 MAPT (0.46) KMT2ACYP1A2CYP2C9
SCHEMBL13551997 0.77 MAPT (0.46) KMT2A
SCHEMBL12644401 0.75 CA1 (0.64) CA1CA2FYNERN1CYP1A2

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 10 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

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 CA1 4409/4885CA2 4744/4885FYN 536/4885
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin TTR, TTPA, APOB CA1 4409/4885CA2 4744/4885FYN 536/4885
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN TTR, TTPA, APOB CA1 4409/4885CA2 4744/4885FYN 536/4885

“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