SCHEMBL2750289

SCHEMBL2750289

CC(=O)c1cnc(C(C(=O)O)C(=O)O)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.41
▸ KMT2A Q03164 5/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ NAPRT Q6XQN6 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ TTR P02766 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL17148520 0.83 KMT2A (0.39) MAPK1KMT2AMEN1ALDH1A1RXFP1
SCHEMBL27374794 0.77 MAPK1 (0.41) MAPK1KMT2AMEN1GAA
SCHEMBL2421365 0.74 KMT2A (0.51) MAPK1KMT2AMEN1ALDH1A1RXFP1
SCHEMBL2750787 0.73 KMT2A (0.43) MAPK1KMT2AMEN1ALDH1A1RXFP1
SCHEMBL9195960 0.73 CA5A (0.40) MAPK1KMT2AMEN1ALDH1A1RXFP1
SCHEMBL12763742 0.72 HCAR2 (0.43) KMT2AALDH1A1NAPRTTTRTSHR
SCHEMBL3774595 0.72 MAPK1 (0.69) MAPK1KMT2AMEN1ALDH1A1GAA
SCHEMBL9192048 0.72 CYP2D6 (0.45) MAPK1KMT2AMEN1ALDH1A1RXFP1
SCHEMBL16505140 0.71 ALDH1A1 (0.43) MAPK1KMT2AMEN1ALDH1A1
SCHEMBL27956182 0.70 AGBL2 (0.45) MAPK1KMT2AMEN1ALDH1A1RXFP1

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-8178558-B2 Substituted pyridylmethyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-05-15 — — US disclosed
EP-2069302-B1 SUBSTITUTED PYRIDYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER (US) 2010-08-25 — — EP disclosed
US-20090318497-A1 SUBSTITUTED PYRIDYLMETHYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER, INC. 2009-12-24 — — US disclosed
EP-2069302-A1 SUBSTITUTED PYRIDYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS Pfizer Inc. (US) 2009-06-17 — — EP disclosed
WO-2008032204-A1 SUBSTITUTED PYRIDYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-03-20 — — 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 (1 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-20090318497-A1 SUBSTITUTED PYRIDYLMETHYL BICYCLICCARBOXYAMIDE COMPOUNDS CNR1, CNR2, HCAR3 MAPK1 1218/4885KMT2A 2933/4885MEN1 1555/4885

“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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