Sugi Predict

Sugi Predict / Compounds / SCHEMBL967564

SCHEMBL967564

SCHEMBL967564

CC(C)(C)[Si](C)(C)OC(/C=C/I)Cc1csc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.40
▸ CTSL P07711 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ TACR1 P25103 1/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ SRC P12931 1/20 0.32
▸ CRHBP P24387 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32
▸ CA1 P00915 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
SCHEMBL967565 1.00 CYP2A6 (0.40) CYP2A6CTSLCTSSCTSKTACR1
SCHEMBL6839397 0.81 CTNNB1 (0.38) CTSSCTSKTACR1SMN1; SMN2ALDH1A1
SCHEMBL6839393 0.81 CTNNB1 (0.38) CTSSCTSKTACR1SMN1; SMN2ALDH1A1
SCHEMBL17256209 0.77 LOXL2 (0.41) SMN1; SMN2ALDH1A1TP53
SCHEMBL17256208 0.77 LOXL2 (0.41) SMN1; SMN2ALDH1A1TP53
SCHEMBL967563 0.77 CYP2A6 (0.39) CYP2A6CTSLCTSSCTSKTACR1
SCHEMBL6650902 0.76 TAAR1 (0.33) CYP2A6ALDH1A1TAAR1POLB
SCHEMBL4504372 0.76 TAAR1 (0.33) CYP2A6ALDH1A1TAAR1POLB
SCHEMBL4504374 0.76 TAAR1 (0.33) CYP2A6ALDH1A1TAAR1POLB
SCHEMBL6650896 0.76 TAAR1 (0.33) CYP2A6ALDH1A1TAAR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872045-B2 Treating ocular hypertension, glaucoma, by administering prostaglandin derivatives such as {3-[(1R,2S,3R)-3-Hydroxy-2-((S)-(E)-3-(hydroxy)-5-(naphthyl)pent-1-enyl)-5-oxocyclopentylsulfanyl]propylsulfanyl}acetic acid methyl ester ALLERGAN, INC. (US) 2011-01-18 — — US disclosed
EP-1395263-B1 3, 7 OR 3 AND 7 THIA OR OXA PROSTANOIC ACID DERIVATIVES AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN INC (US) 2009-12-30 — — EP disclosed
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-6956057-B2 EP4 agonists as agents for lowering intraocular pressure ALLERGAN, INC. (US) 2005-10-18 — — US disclosed
US-20050222094-A1 Treatment of inflammatory bowel disease ALLERGAN, INC. 2005-10-06 — — US disclosed
US-20050209194-A1 Combination therapy for glaucoma treatment ALLERGAN, INC. 2005-09-22 — — US disclosed
US-20050049227-A1 Cyclohexyl prostaglandin analogs as EP4-receptor agonists ALLERGAN, INC. 2005-03-03 — — US disclosed
US-20040102499-A1 EP4 agonists as agents for lowering intraocular pressure ALLERGAN, INC. 2004-05-27 — — US disclosed
EP-1395263-A1 3, 7 OR 3 AND 7 THIA OR OXA PROSTANOIC ACID DERIVATIVES AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE Allergan, Inc. (US) 2004-03-10 — — EP disclosed
US-6538018-B1 Method of treating ocular hypertension or glaucoma which comprises administering to an animal having ocular hypertension or glaucoma therapeutically effective amount of a compound ALLERGAN, INC. 2003-03-25 — — US disclosed
WO-2002102389-A1 3, 7 OR 3 AND 7 THIA OR OXA PROSTANOIC ACID DERIVATIVES AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. (US) 2002-12-27 — — 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 (6 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 CYP2A6 645/4885CTSL 2487/4885CTSS 3700/4885
US-20050222094-A1 Treatment of inflammatory bowel disease SLC10A2, NR1H4, FABP2 CYP2A6 1292/4885CTSL 2577/4885CTSS 2662/4885
US-20060030606-A1 Cyclohexyl prostaglandin analogs as EP4-receptor agonists PTGER4, PTGER1, PTGIR CYP2A6 532/4885CTSL 2496/4885CTSS 3460/4885
US-20050049227-A1 Cyclohexyl prostaglandin analogs as EP4-receptor agonists PTGER4, PTGER1, PTGIR CYP2A6 532/4885CTSL 2496/4885CTSS 3460/4885
US-20050209194-A1 Combination therapy for glaucoma treatment RHOXF2, EDNRB, PDE6D CYP2A6 2417/4885CTSL 3929/4885CTSS 3764/4885
US-20040102499-A1 EP4 agonists as agents for lowering intraocular pressure PTGER4, PTGIR, PTGER1 CYP2A6 1383/4885CTSL 3496/4885CTSS 4338/4885

“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.