Sugi Predict

Sugi Predict / Compounds / SCHEMBL3530908

SCHEMBL3530908

SCHEMBL3530908

Cc1cccc([C@H](C)c2nccn2C(=O)OCc2ccccc2CCc2ccccc2)c1C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ PTGER4 P35408 2/20 0.35
▸ PTGER3 P43115 2/20 0.35
▸ PTGER2 P43116 2/20 0.35
▸ PTGER1 P34995 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ FFAR1 O14842 4/20 0.35
▸ ABCB1 P08183 2/20 0.34
▸ GRIN2B Q13224 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ EPHX1 P07099 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
SCHEMBL697760 0.89 L3MBTL1 (0.38) KMT2AMEN1ALDH1A1FFAR1GRIN2B
SCHEMBL698176 0.89 GRIN2B (0.41) KMT2AMEN1ALDH1A1TSHRFFAR1
SCHEMBL3529304 0.87 GRIN2B (0.37) FFAR1GRIN2BTDP1POLB
SCHEMBL697700 0.86 EPHX1 (0.39) PTGER4PTGER3PTGER2PTGER1FFAR1
SCHEMBL698721 0.85 LMNA (0.38) KMT2AMEN1ALDH1A1TDP1
SCHEMBL696969 0.85 CASP3 (0.39) KMT2AMEN1PTGER3ALDH1A1FFAR1
SCHEMBL702153 0.85 GRIN2B (0.39) KMT2AMEN1ALDH1A1TSHRGRIN2B
SCHEMBL699125 0.85 EPHX1 (0.45) FFAR1EPHX1
SCHEMBL698766 0.85 KMT2A (0.40) KMT2AMEN1ALDH1A1GRIN2BPOLB
SCHEMBL3530362 0.85 FNTA (0.40) ALDH1A1TSHRGRIN2BTDP1POLB

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 KMT2A 945/4885MEN1 493/4885PTGER4 2927/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KMT2A 945/4885MEN1 493/4885PTGER4 2927/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KMT2A 945/4885MEN1 493/4885PTGER4 2927/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KMT2A 945/4885MEN1 493/4885PTGER4 2927/4885

“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.