SCHEMBL13552002

SCHEMBL13552002

Cc1cc(-c2cnc(C(=O)Oc3ccc(F)cc3)nc2)cc(C)c1O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.49
▸ KMT2A Q03164 8/20 0.41
▸ ATM Q13315 1/20 0.41
▸ ALOX5 P09917 2/20 0.38
▸ MAPT P10636 5/20 0.38
▸ PTGS1 P23219 2/20 0.37
▸ PTGS2 P35354 2/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HTT P42858 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
SCHEMBL12644502 0.85 TTR (0.47) TTRKMT2AATMALOX5MAPT
SCHEMBL13551990 0.84 TTR (0.64) TTRKMT2AALOX5PTGS1PTGS2
SCHEMBL12644386 0.84 TTR (0.46) TTRKMT2AATMALOX5MAPT
SCHEMBL12644429 0.84 PTGS1 (0.54) TTRKMT2AATMALOX5MAPT
SCHEMBL13551997 0.83 MAPT (0.46) KMT2AMAPTMEN1KDM4EGAA
SCHEMBL13552001 0.82 FAAH (0.39) TTRKMT2AMAPTCA1CA2
SCHEMBL13552004 0.81 CA1 (0.39) KMT2ACA1CA2FYN
SCHEMBL12644179 0.80 TTR (0.48) TTRKMT2AATMALOX5MAPT
SCHEMBL13552109 0.80 TTR (0.58) TTRKMT2AATMALOX5MAPT
SCHEMBL12643988 0.79 TTR (0.49) TTRKMT2AATMALOX5MAPT

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 TTR 1/4885KMT2A 3072/4885ATM 3448/4885
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin TTR, TTPA, APOB TTR 1/4885KMT2A 3072/4885ATM 3448/4885
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN TTR, TTPA, APOB TTR 1/4885KMT2A 3072/4885ATM 3448/4885

“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