Sugi Predict

Sugi Predict / Compounds / SCHEMBL317890

SCHEMBL317890

SCHEMBL317890

CCCCCC(O)c1cc[c]cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR2 O95136 1/20 0.41
▸ S1PR1 P21453 1/20 0.41
▸ S1PR3 Q99500 1/20 0.41
▸ LPAR2 Q9HBW0 1/20 0.41
▸ CA2 P00918 1/20 0.40
▸ ADRB2 P07550 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PTGER2 P43116 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ CACNA1F O60840 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ CACNA1D Q01668 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL317513 0.98 S1PR2 (0.43) S1PR2S1PR1S1PR3LPAR2CA2
SCHEMBL317461 0.94 KDM4E (0.42) S1PR2S1PR1S1PR3LPAR2CA2
SCHEMBL317303 0.88 LMNA (0.40) S1PR2S1PR1S1PR3LPAR2ALDH1A1
SCHEMBL22399245 0.88 LMNA (0.40) S1PR2S1PR1S1PR3LPAR2ALDH1A1
SCHEMBL29191903 0.82 PTGER2 (0.36) PTGER2LMNARIPK1
SCHEMBL983798 0.82 NR1I2 (0.44) ALDH1A1LMNACSNK1E
SCHEMBL9717239 0.80 ALDH1A1 (0.41) ADRB2ALDH1A1LMNACHRM2ADRA2C
SCHEMBL10357844 0.80 NR1I2 (0.46) ALDH1A1LMNACSNK1E
SCHEMBL29191984 0.80 PTGER2 (0.38) S1PR2S1PR1S1PR3LPAR2PTGER2
SCHEMBL12982442 0.80 OPRM1 (0.37) ADRB2ALDH1A1RIPK1GPR84

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 252 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365485-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2016-06-14 — — US claimed
US-20140323510-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2014-10-30 — — US claimed
US-8722726-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2014-05-13 — — US claimed
EP-2118094-B1 GAMMA-LACTAMS FOR THE TREATMENT OF GLAUCOMA OR ELEVATED INTRAOCULAR PRESSURE ALLERGAN INC (US) 2013-04-17 — — EP claimed
EP-2257548-B1 THERAPEUTIC COMPOUNDS ALLERGAN INC (US) 2012-12-26 — — EP claimed
US-8278347-B2 Therapeutic compounds ALLERGAN, INC. (US) 2012-10-02 — — US claimed
US-8003678-B2 Therapeutic substituted thiazolidinones, oxazolidinones, and related compounds ALLERGAN, INC. (US) 2011-08-23 — — US claimed
US-7956051-B2 Therapeutic amides and related compounds ALLERGAN, INC. (US) 2011-06-07 — — US claimed
EP-2049467-B1 THERAPEUTIC AMIDES AND RELATED COMPOUNDS ALLERGAN INC (US) 2011-03-23 — — EP claimed
EP-2247583-A1 HYDRAZINES IN GLAUCOMA THERAPY ALLERGAN, INC. (US) 2010-11-10 — — EP claimed
WO-2008021804-A2 THERAPEUTIC AMIDES AND RELATED COMPOUNDS ALLERGAN, INC. (US) 2008-02-21 — — WO claimed
US-20080027108-A1 THERAPEUTIC SUBSTITUTED LACTAMS ALLERGAN, INC. 2008-01-31 — — US claimed
EP-0946501-B1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER (US) 2006-05-31 — — EP claimed
US-20040176461-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER INC 2004-09-09 — — US claimed
US-6649657-B2 Administering amide to treat osteoporosis PFIZER INC. 2003-11-18 — — US claimed
US-20030105092-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists CAMERON KIMBERLEY Q (US) 2003-06-05 — — US claimed
US-20020016368-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists CAMERON KIMBERLY O (US) 2002-02-07 — — US claimed
US-6288120-B1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER INC. 2001-09-11 — — US claimed
EP-0946501-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1999-10-06 — — EP claimed
WO-1998028264-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1998-07-02 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20040176461-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 S1PR2 320/4885S1PR1 266/4885S1PR3 297/4885
US-20020016368-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 S1PR2 320/4885S1PR1 266/4885S1PR3 297/4885
US-20030105092-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 S1PR2 320/4885S1PR1 266/4885S1PR3 297/4885
US-20080027108-A1 THERAPEUTIC SUBSTITUTED LACTAMS SI, GGPS1, B3GAT3 S1PR2 2984/4885S1PR1 2765/4885S1PR3 2580/4885
US-20140323510-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 S1PR2 1299/4885S1PR1 1617/4885S1PR3 2278/4885

“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.