SCHEMBL3612256

SCHEMBL3612256

CCOc1cc(C(=O)O)ccc1OC

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.87
CA12 O43570 1/20 0.73
CA1 P00915 1/20 0.73
CA2 P00918 1/20 0.73
CA4 P22748 1/20 0.73
CA6 P23280 1/20 0.73
CA7 P43166 1/20 0.73
TPMT P51580 1/20 0.73
CA9 Q16790 1/20 0.73
CA14 Q9ULX7 1/20 0.73
MAPK1 P28482 2/20 0.69
L3MBTL1 Q9Y468 1/20 0.66
POLB P06746 1/20 0.64
CASP6 P55212 1/20 0.64
TP53 P04637 1/20 0.62
PDE4A P27815 6/20 0.61
PDE4B Q07343 6/20 0.61
PDE4C Q08493 6/20 0.61
PDE4D Q08499 6/20 0.61
HTT P42858 2/20 0.59

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
SCHEMBL566581 0.93 TSHR (1.00) TSHRCA12CA1CA2CA4
SCHEMBL29882038 0.91 TSHR (0.83) TSHRCA12CA1CA2CA4
SCHEMBL177424 0.91 TSHR (0.83) TSHRCA12CA1CA2CA4
SCHEMBL9426701 0.88 TSHR (0.78) TSHRCA12CA1CA2CA4
SCHEMBL4826029 0.88 TSHR (0.72) TSHRMAPK1L3MBTL1TP53PDE4A
SCHEMBL7334285 0.87 CA12 (0.69) TSHRCA12CA1CA2CA4
SCHEMBL4280677 0.86 MAPK1 (0.90) TSHRMAPK1L3MBTL1TP53PDE4A
SCHEMBL1824358 0.86 MAPK1 (0.69) TSHRMAPK1L3MBTL1TP53PDE4A
SCHEMBL5076592 0.86 TSHR (0.76) TSHRCA12CA1CA2CA4
SCHEMBL3371069 0.86 TSHR (0.66) TSHRCA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3924349-B1 AMINO ACID DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES THE ROSKAMP INST (US) 2025-06-25 EP disclosed
CN-113563244-B Substituted aza five-membered ring compound and application thereof in medicine 广东东阳光药业股份有限公司 2025-01-10 CN disclosed
CN-113563245-B Substituted pyrrolidines and their use in medicine 广东东阳光药业股份有限公司 2024-10-15 CN disclosed
CN-115073329-B Novel leonurine derivative and preparation method and application thereof 中国海洋大学 2024-01-26 CN disclosed
US-20230111917-A1 KINASE ANTAGONISTS UNIV CALIFORNIA (US) 2023-04-13 US disclosed
US-20220396581-A1 COMPOUNDS FOR THE TREATMENT OF PARAMYXOVIRUS VIRAL INFECTIONS Janssen Biopharma, Inc. (US) 2022-12-15 US disclosed
CN-115068462-A Application of novel leonurine marine derivative in preparation of medicines for preventing and treating inflammatory diseases or allergy 中国海洋大学 2022-09-20 CN disclosed
CN-115073329-A Novel leonurine derivative and preparation method and application thereof 中国海洋大学 2022-09-20 CN disclosed
CN-112250533-B Synthesis method of (S) -1- (3-ethoxy-4-methoxyphenyl) -2- (methylsulfonyl) ethylamine 中山奕安泰医药科技有限公司 2022-03-22 CN disclosed
US-20220081415-A1 Amino Acid Derivatives for the Treatment of Inflammatory Diseases THE ROSKAMP INST (US) 2022-03-17 US disclosed
US-6262101-B1 ALPHA-PYRROLIDINE, IMIDAZOLE AND THIOPHENE-SUBSTITUTED STYRENE DERIVATIVES; INHIBITORS OF TUMOR NECROSIS FACTOR ALPHA, NUCLEAR FACTOR KAPPA B, AND PHOSPHODIESTERASE CELGENE CORPORATION 2001-07-17 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
EP-1080069-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-07 EP disclosed
US-6130226-A Immunotherapeutic agents CELGENE CORPORATION (US) 2000-10-10 US disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
WO-1999054284-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-28 WO disclosed
US-5929117-A COMPOUNDS WHICH MEDIATE ACTION OF PHOSPHODIESTERASE AND FORMATION OF TUMOR NECROSIS FACTOR AND NUCLEAR FACTORS CELGENE CORPORATION (US) 1999-07-27 US disclosed
EP-0918746-A1 IMMUNOTHERAPEUTIC AGENTS AND THEIR USE IN THE REDUCTION OF CYTOKINE LEVELS CELGENE CORPORATION (US) 1999-06-02 EP disclosed
WO-1998006692-A1 NOVEL IMMUNOTHERAPEUTIC AGENTS AND THEIR USE IN THE REDUCTION OF CYTOKINE LEVELS CELGENE CORPORATION (US) 1998-02-19 WO disclosed
US-4337270-A ANTIALLERGENS; ANTIANAPHYLACTIC AGENTS HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1982-06-29 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 (3 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-20220396581-A1 COMPOUNDS FOR THE TREATMENT OF PARAMYXOVIRUS VIRAL INFECTIONS MAVS, SARS1, ZC3HAV1 TSHR 4424/4885CA12 3612/4885CA1 4798/4885
US-20230111917-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 TSHR 1811/4885CA12 4852/4885CA1 4815/4885
US-20220081415-A1 Amino Acid Derivatives for the Treatment of Inflammatory Diseases NFKBIA, NFRKB, IKBKG TSHR 4647/4885CA12 4849/4885CA1 4769/4885

“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.