SCHEMBL4647757

SCHEMBL4647757

CC(=O)Oc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 0.56
CTSL P07711 4/20 0.56
POLB P06746 1/20 0.54
MAPT P10636 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
CYP19A1 P11511 1/20 0.50
ABCB1 P08183 1/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
PTPN1 P18031 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL27692585 0.90 CYP19A1 (0.50) CTSVCTSLPOLBMAPTMEN1
SCHEMBL29502844 0.85 POLB (0.58) CTSVCTSLPOLBMAPTMEN1
SCHEMBL5421861 0.85 POLB (0.58) CTSVCTSLPOLBMAPTMEN1
SCHEMBL9314457 0.84 RAB9A (0.58) CTSVCTSLPOLBMAPTMEN1
Acetic Acid SCHEMBL9653816 0.83 CTSV (0.59) CTSVCTSLPOLBMAPTMEN1
SCHEMBL27481728 0.83 PKM (0.57) CTSVCTSLPOLBMAPTMEN1
SCHEMBL27490731 0.82 BACE1 (0.52) MAPTMEN1KMT2ACYP19A1PTPN1
SCHEMBL29368594 0.82 ALDH1A1 (0.63) CTSVCTSLPOLBMAPTMEN1
SCHEMBL965943 0.82 ALDH1A1 (0.63) CTSVCTSLPOLBMAPTMEN1
SCHEMBL4643314 0.82 CTSV (0.50) CTSVCTSLPOLBMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101321743-A 1,1, 3-trioxo-1, 2, 5-thiadiazolidines as PTP-enzyme inhibitors and their use NOVARTIS AG (CH) 2008-12-10 CN disclosed
US-20080293782-A1 1,1,3-Trioxo-1,2,5-Thiadiazolidines and Their Use as Ptp-Ases Inhibitors NOVARTIS AG (CH) 2008-11-27 US disclosed
EP-1960377-A1 l , l , 3-TRI0X0-l , 2 , 5-THIADIAZ0LIDINES AND THEIR USE AS PTP-ASES INHIBITORS Novartis AG (CH) 2008-08-27 EP disclosed
WO-2007067614-A1 l, l, 3-TRI0X0-l, 2, 5-THIADIAZ0LIDINES AND THEIR USE AS PTP-ASES INHIBITORS NOVARTIS AG (CH) 2007-06-14 WO disclosed
US-6960332-B2 Process for purifying aqueous buffer solutions ERGA OLAV 2005-11-01 US disclosed
US-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
EP-1265692-B1 PROCESS FOR PURIFYING AQUEOUS BUFFER SOLUTIONS ERGA OLAV (NO) 2003-11-26 EP disclosed
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-25 US disclosed
EP-1230210-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-14 EP disclosed
CN-1323289-A Aminoalcohol derivatives and their use as beta3Use of adrenergic agonists FUJISAWA PHARMACEUTICAL CO (JP) 2001-11-21 CN disclosed
EP-1107944-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-20 EP disclosed
WO-2001036375-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-25 WO disclosed
US-6124323-A ACTIVE DRUG TREATING STROKE, CEREBRAL ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA, ANXIETY, CONVULSIONS, AMIOGLYCOSIDE ANTIBIOTICS-INDUCED HEARING LOSS, MIGRAINE HEADACHES, CHRONIC PAIN, GLAUCOMA, CMV RETINITIS, PSYCHOSIS WARNER-LAMBERT COMPANY (US) 2000-09-26 US disclosed
WO-2000012462-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-03-09 WO disclosed
EP-0869792-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-09-22 EP disclosed
EP-0869792-A2 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP disclosed
WO-1997023216-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 WO disclosed
EP-0467325-A2 Carbostyril derivatives SYNTEX (U.S.A.) INC. (US) 1992-01-22 EP 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 (3 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-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 CTSV 1080/4885CTSL 1010/4885POLB 995/4885
US-20080293782-A1 1,1,3-Trioxo-1,2,5-Thiadiazolidines and Their Use as Ptp-Ases Inhibitors PTPRS, IRS1, PTPMT1 CTSV 3535/4885CTSL 3846/4885POLB 3613/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 CTSV 1068/4885CTSL 1140/4885POLB 993/4885

“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.