Sugi Predict

Sugi Predict / Compounds / SCHEMBL1998542

SCHEMBL1998542

SCHEMBL1998542

O=C(O)Cc1cccc(C2CCCC2)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 7/20 0.47
▸ AKR1B1 P15121 1/20 0.46
▸ PTPN5 P54829 4/20 0.44
▸ DUSP3 P51452 1/20 0.44
▸ PTPN11 Q06124 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.41
▸ NAAA Q02083 1/20 0.40
▸ THRB P10828 1/20 0.39
▸ PTGS2 P35354 2/20 0.38
▸ TTR P02766 2/20 0.38
▸ AKR1B10 O60218 1/20 0.38
▸ UGT1A9 O60656 1/20 0.38
▸ TRPA1 O75762 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ MT-CO2 P00403 1/20 0.38
▸ ALB P02768 1/20 0.38
▸ CXCL8 P10145 1/20 0.38
▸ UGT1A6 P19224 1/20 0.38
▸ UGT1A1 P22309 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
SCHEMBL4969723 0.98 PTGDR2 (0.49) PTGDR2AKR1B1PTPN5DUSP3PTPN11
SCHEMBL3983073 0.98 PTGDR2 (0.49) PTGDR2AKR1B1PTPN5DUSP3PTPN11
SCHEMBL5226189 0.86 KDM4E (0.40) PTGDR2PTPN5NAAAPTPN2
SCHEMBL3633503 0.85 PTGDR2 (0.54) PTGDR2AKR1B1TDP1NAAAPTGS2
SCHEMBL2550680 0.83 PTGDR2 (0.56) PTGDR2AKR1B1TDP1NAAATHRB
SCHEMBL2795318 0.82 PTPN5 (0.39) PTGDR2AKR1B1PTPN5DUSP3PTPN11
SCHEMBL3048730 0.82 PTPN5 (0.39) PTGDR2AKR1B1PTPN5DUSP3PTPN11
SCHEMBL2793811 0.82 PTPN5 (0.39) PTGDR2AKR1B1PTPN5DUSP3PTPN11
Hydrochloric Acid SCHEMBL11528572 0.82 PTGDR2 (0.55) PTGDR2AKR1B1TDP1NAAATHRB
SCHEMBL8022072 0.81 GABRA1 (0.55) PTGDR2PTPN5TDP1NAAATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2569308-B1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL SA (ES) 2016-11-23 — — EP claimed
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-09-02 — — US claimed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 — — US claimed
EP-2111861-A1 Compositions of phosphodiesterase type IV inhibitors Ranbaxy Laboratories Limited (IN) 2009-10-28 — — EP claimed
EP-1968945-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-09-17 — — EP claimed
EP-1968980-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-09-17 — — EP claimed
EP-1888525-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0]HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-02-20 — — EP claimed
WO-2007110782-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-10-04 — — WO claimed
WO-2007077510-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-07-12 — — WO claimed
WO-2006117754-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 — — WO claimed
US-10857517-B2 Porous chiral materials and uses thereof NANKAI UNIVERSITY (CN) 2020-12-08 — — US disclosed
US-9643961-B2 Cyclohexylamine derivatives having β2 adrenergic antagonist and M3 muscarinic antagonist activities ALMIRALL, S.A. (ES) 2017-05-09 — — US disclosed
EP-2569308-B1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL SA (ES) 2016-11-23 — — EP disclosed
US-20160264557-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2016-09-15 — — US disclosed
US-9315463-B2 Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities ALMIRALL, S.A. (ES) 2016-04-19 — — US disclosed
US-20080269190-A1 Chronic obstructive pulmonary disease; asthma THERAVANCE, INC. 2008-10-30 — — US disclosed
EP-1968945-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-09-17 — — EP disclosed
EP-1968980-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-09-17 — — EP disclosed
WO-2007110782-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-10-04 — — WO disclosed
WO-2007077510-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-07-12 — — 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 (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-20160264557-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 PTGDR2 184/4885AKR1B1 1330/4885PTPN5 4684/4885
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM1 PTGDR2 113/4885AKR1B1 323/4885PTPN5 2481/4885
US-20080269190-A1 Chronic obstructive pulmonary disease; asthma CHRM2, CHRM5, CHRM3 PTGDR2 320/4885AKR1B1 943/4885PTPN5 846/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B PTGDR2 82/4885AKR1B1 733/4885PTPN5 546/4885
US-10857517-B2 Porous chiral materials and uses thereof ANXA7, XDH, OPRM1 PTGDR2 4033/4885AKR1B1 3111/4885PTPN5 1155/4885

“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.