SCHEMBL309592

SCHEMBL309592

COc1cc(C(=O)O)cc2c1c(C)cn2C1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.49
ACACA Q13085 1/20 0.49
PTGS2 P35354 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA3 P07451 1/20 0.43
PKM P14618 1/20 0.43
CA5A P35218 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
TPMT P51580 2/20 0.42
KMT2A Q03164 3/20 0.40
CNR2 P34972 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38

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
SCHEMBL308415 0.86 ACACB (0.40) ACACBACACAKMT2AHTTTSHR
SCHEMBL309531 0.86 CA12 (0.42) ACACBACACAPTGS2CA12CA1
SCHEMBL309106 0.85 HSD17B2 (0.44) ACACBACACACA12CA1CA2
SCHEMBL26766443 0.80 ACHE (0.36) ACACBACACAKMT2A
SCHEMBL308306 0.78 PTGS2 (0.49) PTGS2CA12CA1CA2CA4
SCHEMBL1501704 0.77 ACACB (0.41) ACACBACACAPTGS2TSHRPDE4A
SCHEMBL308481 0.75 CA12 (0.44) PTGS2CA12CA1CA2CA4
SCHEMBL309739 0.73 POLB (0.44) KMT2AHTTTSHR
SCHEMBL4782664 0.72 TSHR (0.37) HTTTSHR
SCHEMBL309254 0.72 CA12 (0.38) PTGS2CA12CA1CA2CA4

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
US-12102633-B2 Spirolactone compounds QUIXGEN, INC. (US) 2024-10-01 US disclosed
EP-3644998-B1 NOVEL SPIROLACTONE COMPOUNDS QUIXGEN INC (US) 2024-04-10 EP disclosed
US-20230355609-A1 Spirolactone Compounds QUIXGEN, INC. (US) 2023-11-09 US disclosed
CN-110799187-B Spirolactone compounds 汇科锦公司 2023-10-03 CN disclosed
US-11541046-B2 Spirolactone compounds QUIXGEN, INC. (US) 2023-01-03 US disclosed
US-20210145822-A1 Novel Spirolactone Compounds QUIXGEN, INC. (US) 2021-05-20 US disclosed
EP-3644998-A1 NOVEL SPIROLACTONE COMPOUNDS Quixgen, Inc. (US) 2020-05-06 EP disclosed
CN-110799187-A Novel spirolactone compounds 汇科锦公司 2020-02-14 CN disclosed
WO-2019006324-A1 NOVEL SPIROLACTONE COMPOUNDS QUIXGEN, INC. (US) 2019-01-03 WO disclosed
EP-2111406-B1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS MERCK SHARP & DOHME (US) 2012-10-24 EP disclosed
US-8093389-B2 e.g. 1-[(1-Ethyl-4-methoxy-1H-benzimidazol-6-yl)carbonyl]-6-(1H-tetrazol-5-yl)spiro[chroman-2,4'-piperidine]-4-one; acetyl CoA carboxylase inhibitors; antidiabetic, hypoglycemic agent; metabolic syndrome, fatty liver, hyperlipemia, obesity, diabetes, bulimia, malignant neoplasm or infectious diseases MERCK SHARP & DOHME CORP. (US) 2012-01-10 US disclosed
EP-2111406-A1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS Merck & Co., Inc. (US) 2009-10-28 EP disclosed
WO-2008088688-A1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS MERCK & CO., INC. (US) 2008-07-24 WO disclosed
WO-2008088689-A1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS MERCK & CO., INC. (US) 2008-07-24 WO disclosed
US-20080171761-A1 Substituted spirochromanone derivatives MERCK SHARP & DOHME LLC 2008-07-17 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 (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-11541046-B2 Spirolactone compounds ACACA, AKR1C2, AKR1A1 ACACB 15/4885ACACA 1/4885PTGS2 1863/4885
US-20210145822-A1 Novel Spirolactone Compounds ACACA, HSD17B10, AKR1C2 ACACB 14/4885ACACA 1/4885PTGS2 1674/4885
US-20230355609-A1 Spirolactone Compounds ACACA, AKR1C2, AKR1A1 ACACB 15/4885ACACA 1/4885PTGS2 1863/4885
US-12102633-B2 Spirolactone compounds ACACA, AKR1C2, AKR1A1 ACACB 15/4885ACACA 1/4885PTGS2 1863/4885
US-20080171761-A1 Substituted spirochromanone derivatives CBR3, CBR1, CNKSR1 ACACB 713/4885ACACA 470/4885PTGS2 2322/4885

“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.