SCHEMBL422913

SCHEMBL422913

CC(C)(C)OC(=O)c1ccc(CN)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.65
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
SLC7A5 Q01650 1/20 0.49
HDAC3 O15379 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
F2 P00734 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
STAT3 P40763 2/20 0.44
NR1H2 P55055 1/20 0.44
F10 P00742 1/20 0.42
ALOX15 P16050 1/20 0.41

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
Acetic Acid SCHEMBL9708933 0.95 LOXL2 (0.59) LOXL2CA12CA1CA2CA9
SCHEMBL1852998 0.95 CA12 (0.60) LOXL2CA12CA1CA2CA9
SCHEMBL27707392 0.86 LOXL2 (0.57) LOXL2CA12CA1CA2CA9
SCHEMBL15646205 0.86 CA1 (0.50) LOXL2CA12CA1CA2CA9
SCHEMBL16594355 0.86 CA12 (0.50) LOXL2CA12CA1CA2CA9
SCHEMBL7708759 0.85 KMT2A (0.52) LOXL2CA12CA1CA2CA9
SCHEMBL7588248 0.85 ALDH1A1 (0.55) LOXL2CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL5963878 0.84 CA12 (0.49) LOXL2CA12CA1CA2CA9
Hydrazine SCHEMBL10771056 0.84 CA12 (0.62) LOXL2CA12CA1CA2CA9
SCHEMBL109451 0.84 CA1 (0.61) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109060733-B Iron ion molecular fluorescent sensor and preparation method thereof 苏州首通科技发展有限公司 2019-11-05 CN claimed
CN-108864046-B Fe2+Molecular fluorescence test solution, preparation method and application thereof 苏州首通科技发展有限公司 2019-11-05 CN claimed
CN-108587605-B Fe3+Molecular fluorescent compound and preparation method thereof 中国科学院生物物理研究所 2019-08-02 CN claimed
CN-108801992-B Fe3+Molecular fluorescence sensor and preparation method thereof 中国科学院生物物理研究所 2019-08-02 CN claimed
CN-108675989-B Fe3+Molecular fluorescence test agent and preparation method thereof 中国科学院生物物理研究所 2019-07-02 CN claimed
CN-109060733-A Iron ion molecular fluorescent sensor and preparation method thereof 苏州首通科技发展有限公司 2018-12-21 CN claimed
CN-108929285-A The preparation method of Na+ molecular fluorescence intermediate and Na+ molecular fluorescence sensor 苏州首通科技发展有限公司 2018-12-04 CN claimed
CN-108864046-A Fe2+Molecular fluorescence test solution, preparation method and application thereof 苏州首通科技发展有限公司 2018-11-23 CN claimed
CN-108801992-A Fe3+Molecular fluorescence sensor and preparation method thereof 中国科学院生物物理研究所 2018-11-13 CN claimed
CN-108675989-A Fe3+Molecular fluorescence test agent and preparation method thereof 中国科学院生物物理研究所 2018-10-19 CN claimed
CN-108587605-A Fe3+Molecular fluorescent compound and preparation method thereof 中国科学院生物物理研究所 2018-09-28 CN claimed
EP-4719602-A1 ANTI-HIV COMPOUNDS GILEAD SCIENCES, INC. (US) 2026-04-08 EP disclosed
US-20250333395-A1 BENZYLAMIDE DERIVATIVES AS INHIBITORS OF TRANSFORMING GROWTH FACTOR-BETA RECEPTOR I/ALK5 Agomab Spain, S.L.U. (ES) 2025-10-30 US disclosed
US-12297186-B2 Benzylamide derivatives as inhibitors of transforming growth factor-beta receptor I/ALK5 Agomab Spain, S.L.U. (ES) 2025-05-13 US disclosed
US-12246000-B2 Inhibition of protein amyloid aggregation using fluorinated benzenesulfonamides VILNIUS UNIVERSITY (LT) 2025-03-11 US disclosed
US-4699904-A ANTIINFLAMMATORY AND ANTIDEGENERATIVE AGENTS MERCK & CO., INC. (US) 1987-10-13 US disclosed
EP-0236734-A2 5-Amino-4-hydroxyvaleryl derivatives substituted by s-containing groups CIBA-GEIGY AG (CH) 1987-09-16 EP disclosed
EP-0207447-A2 Tetrazolyl derivatives of beta-lactams useful as elastase inhibitors MERCK & CO. INC. (US) 1987-01-07 EP disclosed
EP-0184550-A2 5-Amino-4-hydroxy valeryl amide derivatives CIBA-GEIGY AG (CH) 1986-06-11 EP disclosed
EP-0143746-A2 5-Amino 4-hydroxy-valeryl-substituted derivatives CIBA-GEIGY AG (CH) 1985-06-05 EP 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-12297186-B2 Benzylamide derivatives as inhibitors of transforming growth factor-beta receptor I/ALK5 TGFBR2, TGFBR1, ACVR1 LOXL2 201/4885CA12 3476/4885CA1 4684/4885
US-20250333395-A1 BENZYLAMIDE DERIVATIVES AS INHIBITORS OF TRANSFORMING GROWTH FACTOR-BETA RECEPTOR I/ALK5 TGFBR2, TGFBR1, ACVR1 LOXL2 201/4885CA12 3476/4885CA1 4684/4885
US-12246000-B2 Inhibition of protein amyloid aggregation using fluorinated benzenesulfonamides APP, APBA1, IAPP LOXL2 4669/4885CA12 3715/4885CA1 2230/4885

“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.