SCHEMBL6134685

SCHEMBL6134685

Cc1ccc(S(=O)(=O)OCCCC(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PSMD10 O75832 1/20 0.40
CYP24A1 Q07973 2/20 0.40
STAT3 P40763 1/20 0.40
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39

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
SCHEMBL2417234 0.95 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL8984255 0.94 CA12 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL3889269 0.94 CA12 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL29215677 0.94 CA12 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL3086878 0.94 CA12 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL6323071 0.90 CA9 (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL3577983 0.90 LMNA (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
Methylene Chloride SCHEMBL29215740 0.90 PSEN1 (0.38) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL3575734 0.90 LMNA (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL5991018 0.89 PSMD10 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180016243-A1 HUMAN HELICASE DDX3 INHIBITORS AS THERAPEUTIC AGENTS AZIENDA OSPEDALIERA UNIVERSITARIA SENESE (IT) 2018-01-18 US disclosed
US-20050261177-A1 Compound ASTELLAS PHARMA INC. (JP) 2005-11-24 US disclosed
EP-1366066-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-12-03 EP disclosed
EP-1117669-B1 ANTIVIRAL PURINE DERIVATIVES UNIV CARDIFF (GB) 2003-01-29 EP disclosed
EP-0788511-B1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 2002-12-11 EP disclosed
WO-2002072621-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-19 WO disclosed
US-20010031745-A1 Antiviral purine derivatives UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2001-10-18 US disclosed
EP-1117669-A1 ANTIVIRAL PURINE DERIVATIVES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LTD. (GB) 2001-07-25 EP disclosed
US-6265536-B1 MICROBIOCIDE AND FUNGICIDE WHICH IS INHIBITOR OF BETA-1,3-GLUCAN SYNTHASE; TREATMENT OF PNEUMOCYSTIS CARINII INFECTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-24 US disclosed
US-6107458-A FUNGICIDE WHICH IS BETA-1,3-GLYCAN SYNTHASE INHIBITOR; FOR PROPHYLAXIS AND TREATMENT OF PNEUMOCYSTIS CARINII INFECTIONS LIKE PNEUMONIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-22 US disclosed
WO-2000018775-A1 ANTIVIRAL PURINE DERIVATIVES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2000-04-06 WO disclosed
US-5922239-A AN INEXPENSIVE BASE OIL USE AS A WORKING FLUID COMPOSITION FOR A REFRIGERATING MACHINE, HAVING EXCELLENT COMPATIBILITY WITH HYDROFLUOROCARBONS, HYDROLYSIS RESISTANCE, ADEQUATE KINEMATIC VISCOSITY, GOOD FLUIDITY AT LOW TEMPERATURES KAO CORPORATION (JP) 1999-07-13 US disclosed
US-5869702-A SPECIALTY OILS FOR REFRIGERATORS KAO CORPORATION (JP) 1999-02-09 US disclosed
US-5720895-A CONSISTS OF HYDROFLUOROCARBONS, A REFRIGERATION OIL CONTAINING POLYOL ETHER DERIVATIVES AS A BASE OIL KAO CORPORATION (JP) 1998-02-24 US disclosed
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 WO disclosed
EP-0696564-A1 Polyol ether derivatives and production methods therefor KAO CORPORATION (JP) 1996-02-14 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-20050261177-A1 Compound MANBA, MAN2B1, MAN2A1 ALDH1A1 3841/4885CYP3A4 1274/4885CYP2C9 2024/4885
US-20180016243-A1 HUMAN HELICASE DDX3 INHIBITORS AS THERAPEUTIC AGENTS DDX3X, DDX39B, DDX1 ALDH1A1 2606/4885CYP3A4 3648/4885CYP2C9 3576/4885
US-20010031745-A1 Antiviral purine derivatives PNP, TYMP, MTAP ALDH1A1 1940/4885CYP3A4 846/4885CYP2C9 1418/4885

“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.