Sugi Predict

Sugi Predict / Compounds / SCHEMBL3525331

SCHEMBL3525331

SCHEMBL3525331

Cc1cccc([C@H](C)c2nccn2C(=O)OCCCOc2ccc(F)cc2)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 7/20 0.38
▸ PPARA Q07869 7/20 0.38
▸ PPARD Q03181 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ HRH2 P25021 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ ALOX5 P09917 5/20 0.36
▸ PTGES O14684 4/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ FFAR1 O14842 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34

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
SCHEMBL698638 0.88 BCHE (0.38) PPARGPPARAALDH1A1ALOX5PTGES
SCHEMBL699098 0.87 FFAR1 (0.41) PPARAFFAR1CYP1A2CYP2D6CYP2C19
SCHEMBL3528053 0.86 BCHE (0.35) PPARGPPARAALOX5PTGESSMN1; SMN2
SCHEMBL697677 0.86 KMT2A (0.35) KMT2AALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL696660 0.85 GRIN2B (0.38) KMT2ANPC1MEN1LMNAFFAR1
SCHEMBL699055 0.85 ALDH1A1 (0.34) KMT2ANPC1ALDH1A1MEN1LMNA
SCHEMBL697568 0.85 MEN1 (0.34) KMT2AALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL697335 0.85 MAPK1 (0.36) ALDH1A1LMNATSHRKDM4E
SCHEMBL697545 0.85 ALDH1A1 (0.33) KMT2AALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL697687 0.84 CYP3A4 (0.32) KMT2AALDH1A1MEN1LMNAPOLB

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 PPARG 2423/4885PPARA 3523/4885PPARD 2631/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 PPARG 2423/4885PPARA 3523/4885PPARD 2631/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 PPARG 2423/4885PPARA 3523/4885PPARD 2631/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 PPARG 2423/4885PPARA 3523/4885PPARD 2631/4885

“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.