SCHEMBL4615932

SCHEMBL4615932

Cc1ccc(S(=O)(=O)O)cc1.NC1(C(=O)OCc2ccccc2)CCCC1

nearest known ligand 0.49

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 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.46
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 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
SCHEMBL1486219 0.99 LMNA (0.48) LMNAMAPTCA1CA2
SCHEMBL6688943 0.98 LMNA (0.49) LMNAMAPTCA1CA2CYP1A2
SCHEMBL6895029 0.95 LMNA (0.51) LMNAMAPTCA1CA2CYP1A2
SCHEMBL21331281 0.84 LMNA (0.46) LMNAMAPTCA1CA2CYP1A2
SCHEMBL3192 0.83 DDB1 (0.51) LMNACA1CA2
SCHEMBL551405 0.82 DDB1 (0.50) LMNACA1CA2
Hydrochloric Acid SCHEMBL1809434 0.82 DDB1 (0.50) LMNACA1CA2
SCHEMBL1841706 0.82 DDB1 (0.50) LMNACA1CA2
Hydrochloric Acid SCHEMBL7530629 0.81 DDB1 (0.49) LMNA
SCHEMBL1144346 0.81 DDB1 (0.51) LMNACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3176478-A None JP disclosed
US-20190105409-A9 IMAGING AGENTS WITH IMPROVED PHARMACOKINETIC PROFILES GE HEALTHCARE AS (NO) 2019-04-11 US disclosed
US-20140286866-A1 IMAGING AGENTS WITH IMPROVED PHARMACOKINETIC PROFILES GE HEALTHCARE AS (NO) 2014-09-25 US disclosed
US-20120269727-A1 IMAGING AGENTS WITH IMPROVED PHARMACOKINETIC PROFILES GE HEALTHCARE AS (NO) 2012-10-25 US disclosed
US-20080095704-A1 A polyoxyethylene glycol having a molecular weight of < 3000 Da and 2-50 ethylene glycol units, an imageable moiety anda non-peptidic vector moiety provided that the vector does not have affinity for the Angiotensin II receptor; enhanced contrast; tomography (SPECT); PET sccans; MRIs GE HEALTHCARE AS (NO) 2008-04-24 US disclosed
EP-1682113-B1 INHIBITOR IMAGING AGENTS GE HEALTHCARE LTD (GB) 2008-01-23 EP disclosed
US-20070104644-A1 Inhibitor imaging agents CUTHBERTSON ALAN 2007-05-10 US disclosed
EP-1415984-A1 Aryloxyarylsulfonylamino hydroxamic acid derivatives Pfizer Products Inc. (US) 2004-05-06 EP disclosed
US-6730784-B2 AS THERAPEUTIC AGENTS FOR AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-05-04 US disclosed
EP-1003720-B1 ARYLOXYARYLSULFONYLAMINO HYDROXAMIC ACID DERIVATIVES PFIZER PROD INC (US) 2004-03-31 EP disclosed
US-6214872-B1 ANTIARTHRITIC AND ANTICARCINOGENIC AGENTS PFIZER INC. 2001-04-10 US disclosed
EP-1072591-A1 NOVEL UREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-01-31 EP disclosed
US-6107337-A ANTIARTHRITIC AGENTS; ANTICARCINOGENIC AGENTS PFIZER INC. (US) 2000-08-22 US disclosed
EP-0895988-A1 Arylsulfonylamino hydroxamic acid derivatives Pfizer Products Inc. (US) 1999-02-10 EP disclosed
EP-0333000-B1 PEPTIDES WITH INHIBITORY ACTIVITY OF ENZYMATIC SYSTEMS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZAMBON GROUP S.p.A. (IT) 1993-05-19 EP disclosed
US-5145872-A PEPTIDES WITH PHARMACEUTICAL ACTIVITY ZAMBON GROUP, S.P.A. (IT) 1992-09-08 US disclosed
JP-H03176478-A NEW DIKETOPIPERAZINE DERIVATIVE AND IMMUNOSUPPRESSIVE AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT SNOW BRAND MILK PROD CO LTD 1991-07-31 JP disclosed
EP-0333000-A2 Peptides with inhibitory activity of enzymatic systems, process for their preparation and pharmaceutical compositions containing them ZAMBON GROUP S.p.A. (IT) 1989-09-20 EP disclosed
EP-0036713-B1 ANGIOTENSIN CONVERTING ENZYME INHIBITORS UNIVERSITY OF MIAMI (US) 1984-01-18 EP disclosed
EP-0036713-A2 Angiotensin converting enzyme inhibitors UNIVERSITY OF MIAMI (US) 1981-09-30 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 (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-20080095704-A1 A polyoxyethylene glycol having a molecular weight of < 3000 Da and 2-50 ethylene glycol units, an imageable moiety anda non-peptidic vector moiety provided that the vector does not have affinity for the Angiotensin II receptor; enhanced contrast; tomography (SPECT); PET sccans; MRIs AGTR1, AGTR2, AVPR1A LMNA 2967/4885MAPT 784/4885CA1 1424/4885
US-20190105409-A9 IMAGING AGENTS WITH IMPROVED PHARMACOKINETIC PROFILES SLC10A1, SLC10A2, SLC19A1 LMNA 3758/4885MAPT 1046/4885CA1 3092/4885
US-20140286866-A1 IMAGING AGENTS WITH IMPROVED PHARMACOKINETIC PROFILES SLC10A1, SLC10A2, SLC19A1 LMNA 3758/4885MAPT 1046/4885CA1 3092/4885
US-20120269727-A1 IMAGING AGENTS WITH IMPROVED PHARMACOKINETIC PROFILES SLC10A1, SLC10A2, SLC19A1 LMNA 3758/4885MAPT 1046/4885CA1 3092/4885
US-20070104644-A1 Inhibitor imaging agents MMP3, MMP1, MMP10 LMNA 2484/4885MAPT 1990/4885CA1 62/4885

“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.