SCHEMBL12389605

SCHEMBL12389605

COc1cccc(C#N)c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
AR P10275 6/20 0.36
PKM P14618 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
TSHR P16473 1/20 0.34
EGFR P00533 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL30804090 0.85 XDH (0.34) POLBGAABCHEACHESMN1; SMN2
SCHEMBL28915005 0.84 CA1 (0.41) SMN1; SMN2ALDH1A1KDM4ETSHREGFR
SCHEMBL29255619 0.82 POLB (0.35) POLBGAABCHEACHEIMPDH2
SCHEMBL21824740 0.81 GAA (0.42) POLBGAAALDH1A1MAOB
SCHEMBL2661280 0.81 POLB (0.37) POLBGAABCHEACHEIMPDH2
SCHEMBL12365297 0.80 TSHR (0.46) SMN1; SMN2ARALDH1A1KDM4ETSHR
SCHEMBL21296190 0.79 ALDH1A1 (0.40) IMPDH2IMPDH1ARALDH1A1KDM4E
SCHEMBL30278920 0.79 ALDH1A1 (0.40) IMPDH2IMPDH1ARALDH1A1KDM4E
SCHEMBL31200776 0.78 ALDH1A1 (0.33) GAAALDH1A1TSHR
SCHEMBL2644744 0.78 LPL (0.37) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4652164-A1 INHIBITORS OF CYCLIC GMP-AMP SYNTHASE AND USES THEREOF Ventus Therapeutics U.S., Inc. (US) 2025-11-26 EP disclosed
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
US-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2025-02-06 US disclosed
US-20250026766-A1 Thiazolopyridyl Amide Derivatives as DNA Polymerase Theta Inhibitors BEIGENE, LTD. (KY) 2025-01-23 US disclosed
EP-4463456-A1 THIAZOLOPYRIDYL AMIDE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS BeiGene, Ltd. (KY) 2024-11-20 EP disclosed
WO-2024233812-A1 INHIBITORS OF CYCLIC GMP-AMP SYNTHASE AND USES THEREOF VENTUS THERAPEUTICS U.S., INC. (US) 2024-11-14 WO 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
WO-2023134708-A1 THIAZOLOPYRIDYL AMIDE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS BEIGENE , LTD. (KY) 2023-07-20 WO disclosed
US-20110306621-A1 ACYLGUANIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2011-12-15 US disclosed
US-20110306621-A1 ACYLGUANIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2011-12-15 US disclosed
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 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 (8 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 POLB 1288/4885GAA 180/4885BCHE 359/4885
US-12091420-B2 SARS-COV2 main protease inhibitors ACE2, TMPRSS2, ACE POLB 1288/4885GAA 180/4885BCHE 359/4885
US-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE POLB 1288/4885GAA 180/4885BCHE 359/4885
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E POLB 4142/4885GAA 916/4885BCHE 85/4885
US-12410183-B2 Sars-cov2 main protease inhibitors ACE2, TMPRSS2, ACE POLB 1288/4885GAA 180/4885BCHE 359/4885
US-20110306621-A1 ACYLGUANIDINE DERIVATIVES HTR5A, HTR2A, HTR1A POLB 4092/4885GAA 505/4885BCHE 211/4885
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE POLB 1288/4885GAA 180/4885BCHE 359/4885
US-20250026766-A1 Thiazolopyridyl Amide Derivatives as DNA Polymerase Theta Inhibitors POLQ, POLK, POLI POLB 5/4885GAA 555/4885BCHE 1947/4885

“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.