Sugi Predict

Sugi Predict / Compounds / SCHEMBL3317353

SCHEMBL3317353

SCHEMBL3317353

COC(=O)Cc1cc2ccc(F)cc2c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 2/20 0.41
▸ IDO1 P14902 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ IDO2 Q6ZQW0 1/20 0.39
▸ S1PR2 O95136 1/20 0.39
▸ DNMT3A Q9Y6K1 1/20 0.39
▸ BRD3 Q15059 1/20 0.38
▸ PLK1 P53350 1/20 0.38
▸ CCNT1 O60563 1/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ CCNA1 P78396 1/20 0.38
▸ LMNA P02545 4/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ PTGDR2 Q9Y5Y4 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ MAPT P10636 2/20 0.36
▸ THRB P10828 1/20 0.36

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
SCHEMBL2339250 0.87 PTGDR2 (0.41) LMNAMEN1KMT2APTGDR2MAPT
SCHEMBL27822160 0.87 PTGDR2 (0.36) LMNAMEN1KMT2APTGDR2MAPT
SCHEMBL2334792 0.85 SMN1; SMN2 (0.48) LMNAMEN1KMT2ATP53HTT
SCHEMBL9009204 0.84 AVPR1B (0.43) PTGDR2
SCHEMBL27841415 0.84 ALDH1A1 (0.38) LMNAPTGDR2MAPTHTTACHE
SCHEMBL2333949 0.84 PTGDR2 (0.43) PTGDR2
SCHEMBL15006641 0.83 GPR119 (0.46) GPR119DNMT3ABRD3MAPTTHRB
Tert-Butyl Formate SCHEMBL27822161 0.83 AVPR1B (0.41) PTGDR2
Trifluoroacetic Acid SCHEMBL2333856 0.81 PKM (0.42) PTGDR2
SCHEMBL2335826 0.77 PTGDR2 (0.46) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358677-B1 NAPHTHYLACETIC ACIDS USED AS CRTH2 ANTAGONISTS OR PARTIAL AGONISTS HOFFMANN LA ROCHE (CH) 2014-01-08 — — EP disclosed
EP-2358677-B1 NAPHTHYLACETIC ACIDS USED AS CRTH2 ANTAGONISTS OR PARTIAL AGONISTS HOFFMANN LA ROCHE (CH) 2014-01-08 — — EP disclosed
US-8188090-B2 Naphthylacetic acids HOFFMAN-LA ROCHE INC. (US) 2012-05-29 — — US disclosed
US-8188090-B2 Naphthylacetic acids HOFFMAN-LA ROCHE INC. (US) 2012-05-29 — — US disclosed
US-8188090-B2 Naphthylacetic acids HOFFMAN-LA ROCHE INC. (US) 2012-05-29 — — US disclosed
US-20100125061-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-05-20 — — US disclosed
US-20100125061-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-05-20 — — US disclosed
US-20100125061-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-05-20 — — US disclosed
WO-2010055006-A1 NAPHTHYLACETIC ACIDS USED AS CRTH2 ANTAGONISTS OR PARTIAL AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 — — WO 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 (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-20100125061-A1 NAPHTHYLACETIC ACIDS HRH2, HRH1, HRH3 GPR119 237/4885IDO1 3734/4885TDO2 2581/4885

“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.