SCHEMBL13552006

SCHEMBL13552006

Cc1cc(CCc2cnc(C(=O)Oc3cncnc3)nc2)cc(C)c1O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.36
▸ PTGS2 P35354 2/20 0.36
▸ PTPN1 P18031 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ HMGB1 P09429 1/20 0.31
▸ CXCL12 P48061 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30

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
SCHEMBL12644184 0.84 PTGS1 (0.33) PTGS1PTGS2
SCHEMBL13551983 0.84 PTGS1 (0.40) PTGS1PTGS2PKMKMT2ALMNA
SCHEMBL13552004 0.83 CA1 (0.39) KMT2ACYP1A2CYP2C9
SCHEMBL12644429 0.82 PTGS1 (0.54) PTGS1PTGS2KMT2A
SCHEMBL13552117 0.82 PTGS1 (0.46) PTGS1PTGS2PKMKMT2ACYP1A2
SCHEMBL13552008 0.82 TTR (0.43) PTGS1PTGS2CYP1A2CYP2C9
SCHEMBL13552007 0.80 BRD4 (0.38) KMT2A
SCHEMBL12644729 0.79 TTR (0.43) KMT2ACYP1A2CYP2C9
SCHEMBL13551992 0.79 MAPT (0.44) PKMKMT2A
SCHEMBL12644452 0.77 PTGS1 (0.52) PTGS1PTGS2ESR1HMGB1CXCL12

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 PTGS1 3544/4885PTGS2 3961/4885PTPN1 1247/4885
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin TTR, TTPA, APOB PTGS1 3544/4885PTGS2 3961/4885PTPN1 1247/4885
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN TTR, TTPA, APOB PTGS1 3544/4885PTGS2 3961/4885PTPN1 1247/4885

“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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