SCHEMBL27192039

SCHEMBL27192039

Nc1cncc2ccc(N3CCS(=O)(=O)CC3)nc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 2/20 0.46
▸ CCNC P24863 3/20 0.36
▸ CDK8 P49336 3/20 0.36
▸ MAP4K4 O95819 3/20 0.35
▸ CNR2 P34972 2/20 0.35
▸ OPRM1 P35372 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ GAK O14976 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ ALOX5AP P20292 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ WNT3A P56704 1/20 0.32
▸ SMPD3 Q9NY59 1/20 0.32

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
SCHEMBL27191957 0.83 CCNC (0.36) HTR3ACCNCCDK8CNR2ADRA1A
SCHEMBL31509773 0.79 CCNC (0.54) HTR3ACCNCCDK8SMPD3
SCHEMBL27191954 0.79 CCNC (0.54) HTR3ACCNCCDK8SMPD3
SCHEMBL27191979 0.73 CDK1 (0.44) CCNCCDK8MAP4K4CDK1CDK2
SCHEMBL27192203 0.73 ADRA1A (0.39) HTR3ACCNCCDK8CNR2OPRM1
SCHEMBL2253910 0.69 GRIN2D (0.49) CNR2OPRM1OPRL1CDK1CDK2
SCHEMBL31227106 0.68 HRH3 (0.66) CDK1CDK2
SCHEMBL15778970 0.68 MAPT (0.52) CNR2CDK1CDK2CNR1
SCHEMBL15783954 0.67 TGFBR1 (0.36) GAKCDK1CDK2
SCHEMBL15778564 0.67 ATR (0.46) GAKCDK1CDK2ALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12410183-B2 Sars-cov2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 — — US disclosed
EP-4565574-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2025-06-11 — — EP disclosed
CN-119731159-A SARS-CoV2 main proteinase inhibitor 吉利德科学公司 2025-03-28 — — CN disclosed
US-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2025-02-06 — — US disclosed
US-12091420-B2 SARS-COV2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2024-09-17 — — US disclosed
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 — — US disclosed
US-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-04-11 — — US disclosed
WO-2024031089-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-08 — — 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 (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-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE HTR3A 4216/4885CCNC 2968/4885CDK8 1650/4885
US-12091420-B2 SARS-COV2 main protease inhibitors ACE2, TMPRSS2, ACE HTR3A 4216/4885CCNC 2968/4885CDK8 1650/4885
US-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE HTR3A 4216/4885CCNC 2968/4885CDK8 1650/4885
US-12410183-B2 Sars-cov2 main protease inhibitors ACE2, TMPRSS2, ACE HTR3A 4216/4885CCNC 2968/4885CDK8 1650/4885
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE HTR3A 4216/4885CCNC 2968/4885CDK8 1650/4885

“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.

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