SCHEMBL3496208

SCHEMBL3496208

CC(c1ccccc1)C(C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.55
FFAR2 O15552 3/20 0.49
PRCP P42785 4/20 0.47
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
CNR1 P21554 2/20 0.42
PTGS2 P35354 1/20 0.42
BRD4 O60885 1/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
GPR139 Q6DWJ6 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41

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
SCHEMBL15554269 0.89 CYP2D6 (0.70) CYP2D6KMT2APTGS2
SCHEMBL3392489 0.89 CYP2D6 (0.70) CYP2D6KMT2APTGS2
SCHEMBL6393928 0.84 CYP2D6 (0.57) CYP2D6KMT2ACNR1PTGS2IDO1
SCHEMBL28329595 0.84 CYP2D6 (0.57) CYP2D6KMT2AMEN1CNR1PTGS2
SCHEMBL15553593 0.83 CYP2D6 (0.52) CYP2D6KMT2AMEN1PTGS2GPR139
SCHEMBL6180012 0.82 CYP2D6 (0.55) CYP2D6KMT2APTGS2CES2CES1
SCHEMBL11350641 0.81 SLC6A2 (0.48) CYP2D6FFAR2KMT2AMEN1POLB
SCHEMBL1677207 0.81 FFAR2 (0.65) FFAR2KMT2AMEN1
SCHEMBL1405698 0.81 FFAR2 (0.65) FFAR2KMT2AMEN1
SCHEMBL68169 0.81 FFAR2 (0.65) FFAR2KMT2AMEN1

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-8569013-B2 Penicillin-G acylases CODEXIS, INC. (US) 2013-10-29 US disclosed
US-20120270282-A1 PENICILLIN-G ACYLASES CODEXIS, INC. (US) 2012-10-25 US disclosed
US-8247192-B2 Penicillin-G acylases CODEXIS, INC. (US) 2012-08-21 US disclosed
US-20100143968-A1 PENICILLIN-G ACYLASES CODEXIS, INC. (US) 2010-06-10 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-20120270282-A1 PENICILLIN-G ACYLASES PGLS, PNP, NAAA CYP2D6 1443/4885FFAR2 3950/4885PRCP 416/4885
US-20100143968-A1 PENICILLIN-G ACYLASES PGLS, PNP, NAAA CYP2D6 1443/4885FFAR2 3950/4885PRCP 416/4885

“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.