SCHEMBL5023933

SCHEMBL5023933

CCc1ccc(-c2ccsc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.56
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
CYP2A6 P11509 5/20 0.52
CYP2E1 P05181 2/20 0.52
CYP2B6 P20813 2/20 0.52
LPL P06858 1/20 0.44
LIPG Q9Y5X9 1/20 0.44
GRIA4 P48058 2/20 0.44
KCNH2 Q12809 1/20 0.44
PRMT6 Q96LA8 1/20 0.43
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL16104509 0.83 CYP17A1 (0.53) CYP17A1CYP11B1CYP11B2CYP2A6CYP2E1
SCHEMBL27989815 0.81 CYP2A6 (0.74) CYP17A1CYP11B1CYP11B2CYP2A6CYP2E1
SCHEMBL28244556 0.80 RARB (0.50) CYP17A1CYP11B1CYP11B2CYP2A6CYP2E1
SCHEMBL8309627 0.78 CYP17A1 (0.56) CYP17A1CYP11B1CYP11B2CYP2A6CYP2E1
SCHEMBL7445908 0.78 CYP17A1 (0.56) CYP17A1CYP11B1CYP11B2CYP2A6CYP2E1
SCHEMBL8343615 0.78 CYP17A1 (0.56) CYP17A1CYP11B1CYP11B2CYP2A6CYP2E1
SCHEMBL112385 0.78 HRH3 (0.61) CYP17A1CYP11B1CYP11B2CYP2A6CYP2E1
SCHEMBL4056073 0.78 CYP17A1 (0.56) CYP17A1CYP11B1CYP11B2CYP2A6CYP2E1
SCHEMBL5828167 0.78 CYP17A1 (0.56) CYP17A1CYP11B1CYP11B2CYP2A6CYP2E1
SCHEMBL2776957 0.78 TP53 (0.56) CYP2A6LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183286-A1 NOVEL 3' END CAPS, 5' END CAPS AND COMBINATIONS THEREOF FOR THERAPEUTIC RNA NOVARTIS AG (CH) 2023-06-15 US disclosed
US-20230183286-A1 NOVEL 3' END CAPS, 5' END CAPS AND COMBINATIONS THEREOF FOR THERAPEUTIC RNA NOVARTIS AG (CH) 2023-06-15 US disclosed
CN-113264816-B Spiro [ cyclopropane-1, 2' -indene ] -1',3' -diketone derivative and synthetic method thereof 湖北科技学院 2023-03-24 CN disclosed
EP-3904366-A1 END CAPPED NUCLEIC ACID MOLECULES Novartis AG (CH) 2021-11-03 EP disclosed
US-20200190132-A1 NOVEL 3' END CAPS, 5' END CAPS AND COMBINATIONS THEREOF FOR THERAPEUTIC RNA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2020-06-18 US disclosed
US-10676499-B2 3′ end caps, 5′ end caps and combinations thereof for therapeutic RNA NOVARTIS AG (CH) 2020-06-09 US disclosed
US-20180002368-A1 NOVEL 3' END CAPS, 5' END CAPS AND COMBINATIONS THEREOF FOR THERAPEUTIC RNA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2018-01-04 US disclosed
CN-106414434-A Isothiazole derivatives as gpr120 agonists for the treatment of type ii diabetes 詹森药业有限公司 2017-02-15 CN disclosed
EP-2373634-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2015-11-11 EP disclosed
US-8981106-B2 Pyrimidinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2015-03-17 US disclosed
EP-1948191-B1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES UNIV MICHIGAN (US) 2013-01-16 EP disclosed
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20110135604-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-06-09 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
WO-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 WO disclosed
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
WO-2008116156-A2 METHODS AND COMPOSITIONS FOR TREATING DISEASES AND CONDITIONS ASSOCIATED WITH MITOCHONDRIAL FUNCTION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-09-25 WO disclosed
WO-2007053193-A2 UNSOLVATED BENZODIAZEPINE COMPOSITIONS AND METHODS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-10 WO disclosed
WO-2007053725-A2 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-10 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 (7 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-20230183286-A1 NOVEL 3' END CAPS, 5' END CAPS AND COMBINATIONS THEREOF FOR THERAPEUTIC RNA RNGTT, NSUN2, NSUN3 CYP17A1 4843/4885CYP11B1 4873/4885CYP11B2 4879/4885
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF CYP17A1 2421/4885CYP11B1 2824/4885CYP11B2 3503/4885
US-20200190132-A1 NOVEL 3' END CAPS, 5' END CAPS AND COMBINATIONS THEREOF FOR THERAPEUTIC RNA RNGTT, NSUN2, NSUN3 CYP17A1 4843/4885CYP11B1 4873/4885CYP11B2 4879/4885
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 CYP17A1 3377/4885CYP11B1 3438/4885CYP11B2 3753/4885
US-20110135604-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP17A1 4463/4885CYP11B1 3496/4885CYP11B2 3715/4885
US-20180002368-A1 NOVEL 3' END CAPS, 5' END CAPS AND COMBINATIONS THEREOF FOR THERAPEUTIC RNA NSUN2, NSUN3, RNGTT CYP17A1 4837/4885CYP11B1 4868/4885CYP11B2 4871/4885
US-10676499-B2 3′ end caps, 5′ end caps and combinations thereof for therapeutic RNA RNGTT, NSUN3, NSUN2 CYP17A1 4842/4885CYP11B1 4880/4885CYP11B2 4881/4885

“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.