SCHEMBL4916508

SCHEMBL4916508

CONC(=O)c1cc2cc(CO)n(Cc3ccc(F)cc3F)c2cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 2/20 0.38
MET P08581 1/20 0.38
ECE1 P42892 2/20 0.36
PCSK9 Q8NBP7 1/20 0.36
P2RX3 P56373 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARG P37231 2/20 0.35
KLKB1 P03952 1/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 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
SCHEMBL1684119 0.81 PPARG (0.51) METPPARG
SCHEMBL2946889 0.80 FSCN1 (0.42) F2RL3METMEN1KMT2APPARG
SCHEMBL4904705 0.74 MET (0.41) METMEN1KMT2APPARGKLKB1
SCHEMBL2950130 0.74 MAPT (0.43) ECE1MAPTHDAC1HDAC3HDAC4
SCHEMBL4916497 0.74 PPARG (0.37) METMEN1KMT2APPARG
SCHEMBL2949605 0.74 MET (0.39) METMEN1KMT2APPARGKLKB1
SCHEMBL2948573 0.73 CCR2 (0.45) ECE1
SCHEMBL2948096 0.73 PDE10A (0.40) METMEN1KMT2APPARGKLKB1
SCHEMBL2944416 0.72 HDAC1 (0.40) ECE1P2RX3MAPTHDAC1HDAC3
SCHEMBL4806235 0.71 HTR6 (0.42) MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC 2008-09-11 US claimed

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-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB F2RL3 3554/4885MET 4102/4885ECE1 691/4885

“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.