SCHEMBL12644287

SCHEMBL12644287

Cc1cc(/N=N/c2ccc(C(=O)Oc3ccccc3F)cc2)cc(C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ PRSS1 P07477 3/20 0.44
▸ ACR P10323 3/20 0.44
▸ BRD4 O60885 6/20 0.43
▸ SRD5A1 P18405 1/20 0.41
▸ SRD5A2 P31213 1/20 0.41
▸ SLC2A1 P11166 1/20 0.41
▸ SLC2A4 P14672 1/20 0.41
▸ TTR P02766 2/20 0.40
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ BRD3 Q15059 1/20 0.38
▸ CREBBP Q92793 1/20 0.38

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
SCHEMBL12644727 0.89 SLC2A1 (0.47) SERPINE1L3MBTL1MAPTCASP3RAB9A
SCHEMBL13552112 0.84 SERPINE1 (0.48) SERPINE1L3MBTL1MAPTPRSS1ACR
SCHEMBL12645081 0.83 SERPINE1 (0.40) SERPINE1L3MBTL1MAPTRAB9ABRD4
SCHEMBL12644387 0.83 BRD4 (0.41) SERPINE1MAPTBRD4BRD3CREBBP
SCHEMBL13552067 0.83 BRD4 (0.37) SERPINE1L3MBTL1MAPTBRD4SLC2A1
SCHEMBL12644403 0.82 BRD4 (0.40) SERPINE1MAPTBRD4BRD3CREBBP
SCHEMBL13552098 0.82 PTGS1 (0.56) SERPINE1PRSS1ACRSRD5A1SRD5A2
SCHEMBL12644245 0.82 TTR (0.56) L3MBTL1MAPTPRSS1ACRBRD4
SCHEMBL12644169 0.81 KMT2A (0.38) SERPINE1L3MBTL1MAPTRAB9ABRD4
SCHEMBL13552083 0.81 BRD4 (0.36) SERPINE1MAPTPRSS1BRD4FAAH

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
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 429/4885L3MBTL1 950/4885MAPT 29/4885
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin TTR, TTPA, APOB SERPINE1 429/4885L3MBTL1 950/4885MAPT 29/4885
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN TTR, TTPA, APOB SERPINE1 429/4885L3MBTL1 950/4885MAPT 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.

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