Sugi Predict

Sugi Predict / Compounds / SCHEMBL3533877

SCHEMBL3533877

SCHEMBL3533877

Cc1cccc([C@H](C)c2nccn2C(=O)OCc2cc(Cl)ccc2Cl)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN5A Q14524 1/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ FFAR1 O14842 3/20 0.38
▸ CYP2D6 P10635 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ PTGDR2 Q9Y5Y4 2/20 0.35
▸ TP53 P04637 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ SGMS2 Q8NHU3 1/20 0.33
▸ IDO1 P14902 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
SCHEMBL698049 0.90 ALDH1A1 (0.39) FFAR1PTGDR2KMT2AL3MBTL1MRGPRX4
SCHEMBL696969 0.89 CASP3 (0.39) SCN5ASCN9AFFAR1TP53MEN1
SCHEMBL698746 0.89 PTGER1 (0.37) FFAR1CYP2D6CYP2C19TSHRHIF1A
SCHEMBL697730 0.87 GRM5 (0.41) FFAR1TP53MAOBHPGD
SCHEMBL698052 0.87 KCNH2 (0.36) SCN5ASCN9AFFAR1PTGDR2TP53
SCHEMBL696991 0.86 L3MBTL1 (0.40) FFAR1L3MBTL1MAOBMAPTRAB9A
SCHEMBL697902 0.86 NPSR1 (0.42) FFAR1CYP2D6CYP2C19TP53MEN1
SCHEMBL702018 0.85 FFAR1 (0.35) FFAR1TP53MEN1KMT2ASMN1; SMN2
SCHEMBL698376 0.85 ALDH1A1 (0.37) SCN5ASCN9AFFAR1KMT2ATDP1
SCHEMBL697709 0.85 LMNA (0.34) FFAR1CYP2D6CYP2C19TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 — — US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 — — US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 — — US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 — — US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 — — US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 — — US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 — — US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 — — 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 (4 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SCN5A 1614/4885SCN9A 1601/4885FFAR1 4603/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SCN5A 1614/4885SCN9A 1601/4885FFAR1 4603/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SCN5A 1614/4885SCN9A 1601/4885FFAR1 4603/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SCN5A 1614/4885SCN9A 1601/4885FFAR1 4603/4885

“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.