SCHEMBL203258

SCHEMBL203258

COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CC6(CN5C(=O)[C@@H](NC(=O)OC)C(C)C)OCCO6)[nH]4)cc3)cc2)[nH]1)C(C)C

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.79
CYP2C9 P11712 6/20 0.79
KCNH2 Q12809 3/20 0.79
NR1I2 O75469 2/20 0.79
ABCB11 O95342 1/20 0.79
OPRK1 P41145 1/20 0.79
CYP1A2 P05177 3/20 0.71
CYP2D6 P10635 2/20 0.70

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
SCHEMBL12559990 1.00 CYP3A4 (0.79) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL19593004 1.00 CYP3A4 (0.79) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL12559581 1.00 CYP3A4 (0.79) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL203259 1.00 CYP3A4 (0.79) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL15317886 0.98 CYP3A4 (0.78) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL12559637 0.98 CYP3A4 (0.78) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL12598272 0.97 CYP3A4 (0.74) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL19326694 0.96 CYP3A4 (0.73) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL19326695 0.96 CYP3A4 (0.73) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL12559589 0.95 CYP3A4 (0.73) CYP3A4CYP2C9KCNH2NR1I2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117586329-A Crystalline forms of hepatitis c inhibitors and their use in medicine 广东东阳光药业股份有限公司 2024-02-23 CN claimed
WO-2024032718-A1 CRYSTAL FORM OF HEPATITIS C INHIBITOR AND USE THEREOF IN DRUG 广东东阳光药业股份有限公司 2024-02-15 WO claimed
WO-2024017234-A1 SALT OF HCV INHIBITOR, CRYSTAL FORM OF SALT, PHARMACEUTICAL COMPOSITION OF SALT, AND USE OF SALT 广东东阳光药业股份有限公司 2024-01-25 WO claimed
CN-117417327-A Salt of HCV inhibitor, crystalline form of salt, pharmaceutical composition thereof and use thereof 广东东阳光药业股份有限公司 2024-01-19 CN claimed
CN-110958880-B Solid dispersion preparation 东莞东阳光太景医药研发有限责任公司 2023-08-08 CN claimed
EP-4005560-B1 COMBINATION FORMULATION OF TWO ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2026-02-11 EP disclosed
US-12522570-B2 Toll like receptor modulator compounds GILEAD SCIENCES, INC. (US) 2026-01-13 US disclosed
US-12377100-B2 Toll like receptor modulator compounds GILEAD SCIENCES, INC. (US) 2025-08-05 US disclosed
US-12297164-B2 Benzidine compound and application thereof GUANGZHOU IMD THERAPEUTICS CO., LTD. (CN) 2025-05-13 US disclosed
EP-4480544-A2 IMMUNOMODULATORY COMPOSITIONS ANDMETHODS OF USE THEREOF Agrawal, Babita (CA) 2024-12-25 EP disclosed
CN-112074506-B 4' -Halogen-containing nucleotide and nucleoside therapeutic compositions and related uses 埃默里大学 2024-10-11 CN disclosed
CN-118477090-A 4' -Halogen-containing nucleotide and nucleoside therapeutic compositions and related uses 埃默里大学 2024-08-13 CN disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20110152237-A1 Chemical Compounds GLAXOSMITHKLINE LLC 2011-06-23 US disclosed
WO-2011028596-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-03-10 WO disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US 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-12297164-B2 Benzidine compound and application thereof RORC, RORB, RORA CYP3A4 166/4885CYP2C9 47/4885KCNH2 1322/4885
US-20110152237-A1 Chemical Compounds SLC10A1, UGT1A3, UGT2B7 CYP3A4 52/4885CYP2C9 40/4885KCNH2 2695/4885
US-12377100-B2 Toll like receptor modulator compounds TLR8, TLR3, TLR6 CYP3A4 4409/4885CYP2C9 4746/4885KCNH2 4348/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP3A4 1770/4885CYP2C9 3296/4885KCNH2 4228/4885

“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.