Sugi Predict

Sugi Predict / Compounds / SCHEMBL1985248

SCHEMBL1985248

SCHEMBL1985248

CCOC(=O)C(=O)C(C)C(=O)c1ccc(Cl)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.46
▸ HPGD P15428 5/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ KDM4E B2RXH2 4/20 0.42
▸ GSK3B P49841 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ DAO P14920 1/20 0.41

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
SCHEMBL1984518 0.84 ALDH1A1 (0.45) ALDH1A1HPGDNPSR1CASP1POLB
SCHEMBL7039134 0.79 ALDH1A1 (0.50) ALDH1A1HPGDNPSR1CASP1POLB
SCHEMBL3806444 0.75 HPGD (0.46) ALDH1A1HPGDNPSR1CASP1POLB
SCHEMBL1455540 0.75 ALDH1A1 (0.65) ALDH1A1HPGDNPSR1CASP1POLB
SCHEMBL277081 0.75 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2L3MBTL1LMNAMAPT
SCHEMBL4061381 0.74 ALDH1A1 (0.52) ALDH1A1HPGDNPSR1CASP1POLB
SCHEMBL4800700 0.74 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2L3MBTL1LMNAMAPT
SCHEMBL2820879 0.73 ALDH1A1 (0.45) ALDH1A1HPGDNPSR1CASP1POLB
SCHEMBL13423078 0.72 F2 (0.57) ALDH1A1HPGDNPSR1CASP1POLB
Hydrochloric Acid SCHEMBL2817198 0.72 ALDH1A1 (0.44) ALDH1A1HPGDNPSR1CASP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2068870-B1 THIOPHENE COMPOUNDS NAT HEALTH RESEARCH INSTITUTES (TW) 2013-03-27 — — EP disclosed
US-8227620-B2 Pharmaceutical compounds NEUROSCIENZE PHARMANESS S.C. A.R.L. (IT) 2012-07-24 — — US disclosed
EP-1602656-B1 PYRAZOLE DERIVATIVES HAVING AFFINITY FOR CB1 AND/OR CB2 RECEPTORS NEUROSCIENZE PHARMANESS S C A R L (IT) 2011-06-29 — — EP disclosed
US-7834046-B2 Thiophene compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-11-16 — — US disclosed
US-20100105896-A1 PHARMACEUTICAL COMPOUNDS Neuroscienze Pharmaness S.C.a.R.I. (IT) 2010-04-29 — — US disclosed
US-7659407-B2 pyrazole derivatives having affinity for cannabinoidergic CB1 and/or CB2 receptors; immune disorders, osteoporosis, renal ischemia, inflammation,transplant rejection; 5-(5-Chloro-thiofen-2-yl)-1-(4-methoxy-phenyl)-4-methyl-1H-pyrazol-3-carboxylic acid Neuroscienze Pharmaness S.C.a.R.I. (IT) 2010-02-09 — — US disclosed
EP-2084135-A2 PYRAZOLE COMPOUNDS National Health Research Institutes (TW) 2009-08-05 — — EP disclosed
EP-2068870-A2 THIOPHENE COMPOUNDS National Health Research Institutes (TW) 2009-06-17 — — EP disclosed
US-20090042864-A2 PYRAZOLE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-02-12 — — US disclosed
US-20090042864-A2 PYRAZOLE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-02-12 — — US disclosed
US-20090029969-A2 Thiophene Compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-01-29 — — US disclosed
WO-2008060771-A2 PYRAZOLE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-05-22 — — WO disclosed
WO-2008057681-A2 THIOPHENE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-05-15 — — WO disclosed
US-20080090810-A1 THIOPHENE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-17 — — US disclosed
US-20080090809-A1 PYRAZOLE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-17 — — US disclosed
US-20080090809-A1 PYRAZOLE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-17 — — US disclosed
US-20080090809-A1 PYRAZOLE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-17 — — US disclosed
EP-1602656-A1 PYRAZOLE DERIVATIVES HAVING AFFINITY FOR CB1 AND/OR CB2 RECEPTORS NEUROSCIENZE PHARMANESS S.C. a R.L. (IT) 2005-12-07 — — EP disclosed
US-20050261281-A1 Pharmaceutical compounds MIDCAP FUNDING III, LLC 2005-11-24 — — 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 (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-20100105896-A1 PHARMACEUTICAL COMPOUNDS CNR1, CNR2, OPRD1 ALDH1A1 1235/4885HPGD 897/4885NPSR1 144/4885
US-20090042864-A2 PYRAZOLE COMPOUNDS CNR2, CNR1, GPR18 ALDH1A1 1456/4885HPGD 1493/4885NPSR1 34/4885
US-20080090809-A1 PYRAZOLE COMPOUNDS CNR2, CNR1, GPR18 ALDH1A1 1456/4885HPGD 1493/4885NPSR1 34/4885
US-20080090810-A1 THIOPHENE COMPOUNDS CNR1, CNR2, HTR2C ALDH1A1 931/4885HPGD 2414/4885NPSR1 27/4885
US-20090029969-A2 Thiophene Compounds CNR1, CNR2, HTR2C ALDH1A1 931/4885HPGD 2414/4885NPSR1 27/4885
US-20050261281-A1 Pharmaceutical compounds CNR1, CNR2, OPRD1 ALDH1A1 1136/4885HPGD 1371/4885NPSR1 234/4885

“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.