SCHEMBL12108396

SCHEMBL12108396

COc1nc2c(cc1-c1ccccc1OCc1ccccc1)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.44
▸ PTGER1 P34995 6/20 0.43
▸ DHODH Q02127 4/20 0.39
▸ MCL1 Q07820 1/20 0.38
▸ CTSV O60911 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ TSHR P16473 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ PTGER3 P43115 1/20 0.35
▸ PTGER2 P43116 1/20 0.35
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 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
SCHEMBL12108390 0.88 METTL3 (0.44) METTL3PTGER1DHODHMCL1CTSV
SCHEMBL12108401 0.86 METTL3 (0.42) METTL3DHODHCTSVCTSL
SCHEMBL12108387 0.86 METTL3 (0.46) METTL3DHODHMCL1TSHRHIF1A
SCHEMBL12108361 0.82 METTL3 (0.46) METTL3DHODHTSHR
SCHEMBL12108366 0.82 METTL3 (0.59) METTL3
SCHEMBL12108370 0.81 METTL3 (0.44) METTL3DHODHTSHR
SCHEMBL12108378 0.81 METTL3 (0.43) METTL3DHODHTSHRHIF1A
SCHEMBL1300646 0.80 METTL3 (0.44) METTL3TSHRHIF1A
SCHEMBL12108382 0.80 METTL3 (0.41) METTL3DHODHTSHR
SCHEMBL12110682 0.80 PIK3CA (0.42) METTL3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 — — US disclosed
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 — — US disclosed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 — — US disclosed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 — — US disclosed
WO-2009089263-A2 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES INC. (US) 2009-07-16 — — 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 (2 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-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885PTGER1 3479/4885DHODH 783/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885PTGER1 3479/4885DHODH 783/4885

“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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