SCHEMBL12108361

SCHEMBL12108361

COc1nc2c(cc1-c1ccc(F)cc1)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.46
▸ TOP1 P11387 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ GPR35 Q9HC97 1/20 0.33
▸ CTSA P10619 2/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ SQOR Q9Y6N5 1/20 0.33
▸ PRKAB2 O43741 1/20 0.33
▸ PRKAG1 P54619 1/20 0.33
▸ PRKAA2 P54646 1/20 0.33
▸ PRKAA1 Q13131 1/20 0.33
▸ PRKAG3 Q9UGI9 1/20 0.33
▸ PRKAG2 Q9UGJ0 1/20 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
SCHEMBL12108370 0.90 METTL3 (0.44) METTL3KDM4EALDH1A1HPGDTSHR
SCHEMBL12108378 0.90 METTL3 (0.43) METTL3KDM4EALDH1A1HPGDTSHR
SCHEMBL13771684 0.90 METTL3 (0.48) METTL3CTSAPRKAB2PRKAG1PRKAA2
SCHEMBL12108363 0.90 METTL3 (0.48) METTL3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL12108368 0.90 METTL3 (0.48) METTL3CTSAPRKAB2PRKAG1PRKAA2
SCHEMBL12110682 0.88 PIK3CA (0.42) METTL3PIK3CAPRKAG1PRKAA1PRKAB1
SCHEMBL12108382 0.88 METTL3 (0.41) METTL3KDM4EALDH1A1HPGDTSHR
SCHEMBL1301771 0.86 METTL3 (0.44) METTL3KDM4EPIM1PDE10AMAPT
SCHEMBL1301775 0.86 METTL3 (0.44) METTL3KDM4EPIM1PDE10AMAPT
SCHEMBL12108366 0.85 METTL3 (0.59) METTL3CTSAPRKAB2PRKAG1PRKAA2

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 2709/4885TOP1 77/4885KDM4E 656/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885TOP1 77/4885KDM4E 656/4885

“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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