SCHEMBL2126889

SCHEMBL2126889

CS(=O)(=O)c1ccc(/C(=C2\CCOC2=O)c2cccc(Cl)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
PTGS2 P35354 8/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
ALOX12 P18054 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL2126893 1.00 AKR1C3 (0.46) AKR1C3AKR1C2AKR1C1ADORA3ADORA2A
SCHEMBL2126896 1.00 AKR1C3 (0.46) AKR1C3AKR1C2AKR1C1ADORA3ADORA2A
SCHEMBL7813772 0.90 PTGS2 (0.42) AKR1C3AKR1C2AKR1C1ADORA3ADORA2A
SCHEMBL7813773 0.90 PTGS2 (0.42) AKR1C3AKR1C2AKR1C1ADORA3ADORA2A
SCHEMBL1782770 0.89 PTGS2 (0.46) AKR1C3AKR1C2AKR1C1ADORA3ADORA2A
SCHEMBL1079805 0.89 PTGS2 (0.46) AKR1C3AKR1C2AKR1C1ADORA3ADORA2A
SCHEMBL7806930 0.89 PTGS2 (0.46) AKR1C3AKR1C2AKR1C1ADORA3ADORA2A
SCHEMBL6024063 0.88 TDP1 (0.43) AKR1C3AKR1C2AKR1C1CA12CA1
SCHEMBL8663751 0.88 CA1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL7814069 0.88 CA1 (0.52) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9724362-B2 Pharmaceutical compositions comprising nanoparticles and a resuspending material BEND RESEARCH, INC. (US) 2017-08-08 US disclosed
US-9545384-B2 Nanoparticles comprising drug, a non-ionizable cellulosic polymer and tocopheryl polyethylene glocol succinate BEND RESEARCH, INC. (US) 2017-01-17 US disclosed
EP-2231169-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING NANOPARTICLES AND A RESUSPENDING MATERIAL BEND RES INC (US) 2016-05-04 EP disclosed
EP-2162120-B1 NANOPARTICLES COMPRISING A NON-IONIZABLE CELLULOSIC POLYMER AND AN AMPHIPHILIC NON-IONIZABLE BLOCK COPOLYMER BEND RES INC (US) 2016-05-04 EP disclosed
EP-2960253-A1 HUMAN MONOCLONAL ANTIBODIES TO ACTIVIN RECEPTOR-LIKE KINASE-1 Amgen Fremont Inc. (US) 2015-12-30 EP disclosed
US-9221915-B2 Human monoclonal antibodies to activin receptor-like kinase-1 PFIZER INC. (US) 2015-12-29 US disclosed
US-9221915-B2 Human monoclonal antibodies to activin receptor-like kinase-1 PFIZER INC. (US) 2015-12-29 US disclosed
US-8974827-B2 Nanoparticles comprising a non-ionizable cellulosic polymer and an amphiphilic non-ionizable block copolymer BEND RESEARCH, INC. (US) 2015-03-10 US disclosed
US-8623883-B2 4-phenylamino-quinazolin-6-yl-amides WARNER-LAMBERT COMPANY LLC (US) 2014-01-07 US disclosed
US-20130274275-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES WARNER-LAMBERT COMPANY LLC 2013-10-17 US disclosed
WO-2004093816-A2 COMPOSITIONS COMPRISING A SELECTIVE COX-2 INHIBITOR AND A CALCIUM MODULATING AGENT PHARMACIA CORPORATION (US) 2004-11-04 WO disclosed
WO-2004093813-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A CALCIUM MODULATING AGENT FOR THE TREATMENT OF PAIN, INFLAMMATION OR INFLAMMATION MEDIATED DISORDERS PHARMACIA CORPORATION (US) 2004-11-04 WO disclosed
WO-2004093811-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A SODIUM ION CHANNEL BLOCKER FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DAMAGE PHARMACIA CORPORATION (US) 2004-11-04 WO disclosed
WO-2004093814-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A SODIUM CHANNEL BLOCKER PHARMACIA CORPORATION (US) 2004-11-04 WO disclosed
WO-2004060366-A1 A METHOD FOR THE TREATMENT, PREVENTION, OR INHIBITION OF A CNS DISORDER AND/OR PAIN AND INFLAMMATION USING A COMBINATION OF DULOXETINE, VENLAFAXINE OR ATOMOXETINE AND A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND COMPOSITIONS THEREOF PHARMACIA CORPORATION (US) 2004-07-22 WO disclosed
EP-0891345-B1 NOVEL FURAN DIARYLMETHYLIDENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL USES THEREOF UNION PHARMA SCIENT APPL (FR) 2001-08-16 EP disclosed
US-6180651-B1 ANTIINFLAMMATORY AGENTS; ANALGESICS BRISTOL-MYERS SQUIBB 2001-01-30 US disclosed
WO-2000014082-A1 DIARYLMETHYLIDENE FURAN DERIVATIVES AS DRUGS WITH ANTI-INFLAMMATORY, ANALGESIC AND CHEMOPREVENTIVE PROPERTIES LABORATORIES UPSA (FR) 2000-03-16 WO disclosed
EP-0891345-A1 NOVEL FURAN DIARYLMETHYLIDENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL USES THEREOF LABORATOIRES UPSA (FR) 1999-01-20 EP disclosed
WO-1997037984-A1 NOVEL FURAN DIARYLMETHYLIDENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL USES THEREOF LABORATOIRES UPSA (FR) 1997-10-16 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 (1 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-20130274275-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES HRH4, HRH3, HRH2 AKR1C3 1216/4885AKR1C2 2191/4885AKR1C1 1918/4885

“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.