SCHEMBL12644201

SCHEMBL12644201

Cc1cc(-c2ncnc(C(=O)Oc3ccccc3F)n2)cc(C)c1O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 1/20 0.38
▸ MAPT P10636 4/20 0.37
▸ FAAH O00519 1/20 0.37
▸ SLC2A1 P11166 1/20 0.35
▸ SLC2A4 P14672 1/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TTR P02766 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SRD5A1 P18405 1/20 0.34
▸ SRD5A2 P31213 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MRGPRX1 Q96LB2 2/20 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
SCHEMBL12644179 0.84 TTR (0.48) MAPTKMT2AMEN1TTRRAB9A
SCHEMBL13552001 0.81 FAAH (0.39) SERPINE1MAPTFAAHSLC2A1SLC2A4
SCHEMBL12644200 0.81 BRD4 (0.36) SERPINE1MAPTFAAHKMT2AMEN1
SCHEMBL12644198 0.81 TTR (0.43) MAPTTTR
SCHEMBL12644225 0.81 PTGS1 (0.43) MAPTFAAHKMT2AMEN1HSD17B10
SCHEMBL13552112 0.77 SERPINE1 (0.48) SERPINE1MAPTFAAHSLC2A1SLC2A4
SCHEMBL13552012 0.76 KMT2A (0.33) MAPTKMT2AMEN1TTR
SCHEMBL12644839 0.75 SLC2A1 (0.50) SERPINE1MAPTFAAHSLC2A1SLC2A4
SCHEMBL13552042 0.74 MAPT (0.42) SERPINE1MAPTFAAHKMT2AMEN1
SCHEMBL12644430 0.74 HSD17B1 (0.44) SERPINE1MAPTFAAHKMT2AMEN1

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 429/4885MAPT 29/4885FAAH 2947/4885
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin TTR, TTPA, APOB SERPINE1 429/4885MAPT 29/4885FAAH 2947/4885
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN TTR, TTPA, APOB SERPINE1 429/4885MAPT 29/4885FAAH 2947/4885

“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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