SCHEMBL3026229

SCHEMBL3026229

Cc1ccc(S(=O)(=O)O)cc1.O=C(O)C[C@@H](C(=O)O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.48

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.46
MCHR1 Q99705 1/20 0.46
LIMK2 P53671 1/20 0.44
CNR2 P34972 4/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.42
NR3C1 P04150 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PTGES O14684 2/20 0.42
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 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
SCHEMBL3026226 1.00 TAS2R14 (0.46) TAS2R14MCHR1LIMK2CNR2MAPT
SCHEMBL28600697 0.88 TAS2R14 (0.44) TAS2R14MCHR1LIMK2CNR2MAPT
SCHEMBL29104391 0.82 EPOR (0.49) TAS2R14MCHR1LIMK2CNR2MAPT
SCHEMBL28403514 0.82 CPA1 (0.50) ALDH1A1POLBLMNA
SCHEMBL2287044 0.82 CPA1 (0.50) ALDH1A1POLBLMNA
SCHEMBL6703919 0.82 CPA1 (0.50) ALDH1A1POLBLMNA
Hydrochloric Acid SCHEMBL14874679 0.81 CPA1 (0.49) MCHR1ALDH1A1POLBLMNANPSR1
SCHEMBL3458080 0.79 BACE1 (0.40) TAS2R14MCHR1LIMK2CNR2ALDH1A1
SCHEMBL6024693 0.79 BACE1 (0.40) TAS2R14MCHR1LIMK2CNR2ALDH1A1
SCHEMBL6024628 0.79 BACE1 (0.40) TAS2R14MCHR1LIMK2CNR2ALDH1A1

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
CN-107353409-B Dendritic polymer compound and preparation method and application thereof 安徽丰原药业股份有限公司 2020-04-24 CN claimed
CN-107353409-B Dendritic polymer compound and preparation method and application thereof 安徽丰原药业股份有限公司 2020-04-24 CN disclosed
EP-2797900-B1 COMPLEX-FORMING COMPOUNDS STRATOXER S KFT (HU) 2016-09-28 EP disclosed
US-9243031-B2 Complex-forming compounds STRATOXER(S) KFT. (HU) 2016-01-26 US disclosed
US-20140342997-A1 COMPLEX-FORMING COMPOUNDS STRATOXER(S) KFT. (HU) 2014-11-20 US disclosed
EP-2797900-A1 COMPLEX-FORMING COMPOUNDS Stratoxer(S) Kft. (HU) 2014-11-05 EP disclosed
EP-2019834-B1 ECTONUCLEOTIDASE INHIBITORS UNIV BONN (DE) 2014-07-09 EP disclosed
US-20140142167-A1 Micellar Preparation Containing Sparingly Water-Soluble Anticancer Agent And Novel Block Copolymer NANOCARRIER KABUSHIKI KAISHA (JP) 2014-05-22 US disclosed
WO-2013098572-A1 COMPLEX-FORMING COMPOUNDS STRATOXER(S) KFT. (HU) 2013-07-04 WO disclosed
US-7820759-B2 Micellar preparation containing sparingly water-soluble anticancer agent and novel block copolymer NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-10-26 US disclosed
US-20100204182-A1 ECTONUCLEOTIDASE INHIBITORS RHEINISCHE FRIEDRICH-WILHELMS-UNIVERSITAT BONN (DE) 2010-08-12 US disclosed
US-20090156742-A1 Micellar preparation containing sparingly water-soluble anticancer agent and novel block copolymer NANOCARRIER KABUSHIKI KAISHA (JP) 2009-06-18 US disclosed
EP-2019834-A1 ECTONUCLEOTIDASE INHIBITORS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2009-02-04 EP disclosed
WO-2007135195-A1 ECTONUCLEOTIDASE INHIBITORS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2007-11-29 WO disclosed
US-20060099265-A1 Micellar preparation containing sparingly water-soluble anticancer agent and novel block copolymer NANOCARRIER KABUSHIKI KAISHA (JP) 2006-05-11 US disclosed
EP-1604687-A1 MICELLAR PREPARATION CONTAINING SPARINGLY WATER-SOLUBLE ANTICANCER AGENT AND NOVEL BLOCK COPOLYMER Nippon Kayaku Kabushiki Kaisha (JP) 2005-12-14 EP disclosed
US-5578725-A NARCOTIC PEPTIDES FOR CENTRAL NERVOUS SYSTEM DISORDERS AND AUTOIMMUNE DISEASES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1996-11-26 US disclosed
WO-1996023793-A1 DELTA OPIOID RECEPTOR ANTAGONISTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1996-08-08 WO disclosed
EP-0458519-A2 Synthesis of nucleotide and nucleoside derivatives EFAMOL HOLDINGS PLC (GB) 1991-11-27 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 (4 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-20140142167-A1 Micellar Preparation Containing Sparingly Water-Soluble Anticancer Agent And Novel Block Copolymer FLT1, NGLY1, CXCR1 OPRM1 799/4885TAS2R14 3663/4885MCHR1 65/4885
US-20060099265-A1 Micellar preparation containing sparingly water-soluble anticancer agent and novel block copolymer FLT1, NGLY1, SLC7A1 OPRM1 1198/4885TAS2R14 3751/4885MCHR1 77/4885
US-20100204182-A1 ECTONUCLEOTIDASE INHIBITORS NT5E, NT5C2, ENTPD1 OPRM1 894/4885TAS2R14 3792/4885MCHR1 2828/4885
US-20140342997-A1 COMPLEX-FORMING COMPOUNDS F2, CYP2F1, CYP4F2 OPRM1 2345/4885TAS2R14 2639/4885MCHR1 3995/4885

“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.