Sugi Predict

Sugi Predict / Compounds / SCHEMBL4494121

SCHEMBL4494121

SCHEMBL4494121

CC(C)(C)[Si](C)(C)OC(/C=C/I)CCc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 2/20 0.34
▸ CTSG P08311 2/20 0.34
▸ CTRB1 P17538 2/20 0.34
▸ CMA1 P23946 2/20 0.34
▸ TSHR P16473 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CYP24A1 Q07973 1/20 0.32
▸ ACE P12821 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 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
SCHEMBL7552725 1.00 PRSS1 (0.34) PRSS1CTSGCTRB1CMA1TSHR
SCHEMBL4494128 1.00 PRSS1 (0.34) PRSS1CTSGCTRB1CMA1TSHR
SCHEMBL7552716 1.00 PRSS1 (0.34) PRSS1CTSGCTRB1CMA1TSHR
SCHEMBL12549853 0.87 PRSS1 (0.33) PRSS1CTSGCTRB1CMA1CYP24A1
SCHEMBL17429760 0.86 PRSS1 (0.32) PRSS1CTSGCTRB1CMA1TSHR
SCHEMBL4504372 0.86 TAAR1 (0.33) KMT2AACEMEN1ALDH1A1CYP1A2
SCHEMBL6650896 0.86 TAAR1 (0.33) KMT2AACEMEN1ALDH1A1CYP1A2
SCHEMBL6650902 0.86 TAAR1 (0.33) KMT2AACEMEN1ALDH1A1CYP1A2
SCHEMBL4504374 0.86 TAAR1 (0.33) KMT2AACEMEN1ALDH1A1CYP1A2
SCHEMBL6446733 0.85 HCAR2 (0.40) PRSS1CTSGCTRB1CMA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473704-B2 Cyclohexyl prostaglandin analogs as EP4-receptor agonists ALLERGAN, INC. (US) 2009-01-06 — — US disclosed
US-7429615-B2 Cyclohexyl prostaglandin analogs as EP4-receptor agonists ALLERGAN, INC. (US) 2008-09-30 — — US disclosed
US-20060247215-A1 Cyclohexyl prostaglandin analogs as rp4-receptor agonists OLD DAVID W 2006-11-02 — — US disclosed
US-7015243-B2 Cyclohexyl prostaglandin analogs as EP4-receptor agonists ALLERGAN, INC. (US) 2006-03-21 — — US disclosed
US-20060030606-A1 Cyclohexyl prostaglandin analogs as EP4-receptor agonists ALLERGAN, INC. 2006-02-09 — — US disclosed
US-20050049227-A1 Cyclohexyl prostaglandin analogs as EP4-receptor agonists ALLERGAN, INC. 2005-03-03 — — 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 (3 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-20060247215-A1 Cyclohexyl prostaglandin analogs as rp4-receptor agonists PTGER4, PTGER1, PTGER3 PRSS1 1720/4885CTSG 3974/4885CTRB1 1966/4885
US-20060030606-A1 Cyclohexyl prostaglandin analogs as EP4-receptor agonists PTGER4, PTGER1, PTGIR PRSS1 1429/4885CTSG 3894/4885CTRB1 1978/4885
US-20050049227-A1 Cyclohexyl prostaglandin analogs as EP4-receptor agonists PTGER4, PTGER1, PTGIR PRSS1 1429/4885CTSG 3894/4885CTRB1 1978/4885

“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.