SCHEMBL12644839

SCHEMBL12644839

Cc1cc(-c2cccc(C(=O)Oc3ccccc3F)c2)cc(C)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.50
▸ SLC2A4 P14672 1/20 0.50
▸ TTR P02766 2/20 0.48
▸ ERN1 O75460 5/20 0.47
▸ SERPINE1 P05121 1/20 0.46
▸ KMT2A Q03164 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ IL2 P60568 1/20 0.41
▸ SRD5A1 P18405 1/20 0.41
▸ SRD5A2 P31213 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ FAAH O00519 1/20 0.40
▸ SELL P14151 1/20 0.40

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
SCHEMBL13552112 0.87 SERPINE1 (0.48) SLC2A1SLC2A4TTRERN1SERPINE1
SCHEMBL12644735 0.83 TTR (0.68) TTRERN1KMT2AMAPTTDP1
SCHEMBL12644726 0.81 TTR (0.73) SLC2A1SLC2A4TTRSERPINE1KMT2A
SCHEMBL12644727 0.81 SLC2A1 (0.47) SLC2A1SLC2A4TTRSERPINE1KMT2A
SCHEMBL12644759 0.81 PTGS1 (0.49) SLC2A1SLC2A4TTRSERPINE1KMT2A
SCHEMBL13552001 0.79 FAAH (0.39) SLC2A1SLC2A4TTRSERPINE1KMT2A
SCHEMBL12645091 0.77 SERPINE1 (0.44) SLC2A1SLC2A4TTRSERPINE1KMT2A
SCHEMBL13552098 0.77 PTGS1 (0.56) SLC2A1SLC2A4TTRSERPINE1KMT2A
SCHEMBL12644234 0.77 HSD17B1 (0.53) MAPTTDP1ALDH1A1FAAHRAB9A
SCHEMBL12644287 0.77 SERPINE1 (0.46) SLC2A1SLC2A4TTRSERPINE1MAPT

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 SLC2A1 2225/4885SLC2A4 2617/4885TTR 1/4885
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin TTR, TTPA, APOB SLC2A1 2225/4885SLC2A4 2617/4885TTR 1/4885
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN TTR, TTPA, APOB SLC2A1 2225/4885SLC2A4 2617/4885TTR 1/4885

“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