SCHEMBL12108368

SCHEMBL12108368

COc1nc2c(cc1-c1ccc(F)c(Cl)c1)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.48
▸ CTSA P10619 1/20 0.36
▸ FABP3 P05413 1/20 0.35
▸ FABP4 P15090 1/20 0.35
▸ FABP5 Q01469 1/20 0.35
▸ TSPO P30536 1/20 0.35
▸ PRKAG1 P54619 6/20 0.34
▸ PRKAA1 Q13131 6/20 0.34
▸ PRKAB1 Q9Y478 6/20 0.34
▸ PRKAB2 O43741 5/20 0.34
▸ PRKAA2 P54646 5/20 0.34
▸ PRKAG3 Q9UGI9 5/20 0.34
▸ PRKAG2 Q9UGJ0 5/20 0.34
▸ TRPV3 Q8NET8 1/20 0.34
▸ PTPRC P08575 1/20 0.33
▸ PTPN2 P17706 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ PTPA Q15257 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ MAPK1 P28482 3/20 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
SCHEMBL13771684 1.00 METTL3 (0.48) METTL3CTSAFABP3FABP4FABP5
SCHEMBL12108363 0.93 METTL3 (0.48) METTL3PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL12108361 0.90 METTL3 (0.46) METTL3CTSAPRKAG1PRKAA1PRKAB1
SCHEMBL12108366 0.86 METTL3 (0.59) METTL3CTSAPRKAG1PRKAA1PRKAB1
SCHEMBL12108378 0.85 METTL3 (0.43) METTL3PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL1301310 0.85 METTL3 (0.46) METTL3
SCHEMBL1301309 0.85 METTL3 (0.46) METTL3
SCHEMBL12108370 0.84 METTL3 (0.44) METTL3PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL12108382 0.84 METTL3 (0.41) METTL3PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL12110682 0.84 PIK3CA (0.42) METTL3PRKAG1PRKAA1PRKAB1

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 4 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

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 2709/4885CTSA 1665/4885FABP3 4132/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885CTSA 1665/4885FABP3 4132/4885

“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