SCHEMBL2477993

SCHEMBL2477993

Oc1cc(F)ccc1OBOc1ccc(F)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA3 P07451 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
MPO P05164 1/20 0.34
PKM P14618 1/20 0.33
PTGS1 P23219 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32
DAO P14920 2/20 0.32
NPC1 O15118 2/20 0.32
IDO1 P14902 1/20 0.32
DDO Q99489 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PNLIP P16233 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL12589315 0.85 CA3 (0.46) CA3CA6CA5ACA9CA14
SCHEMBL2472494 0.83 CA3 (0.43) CA3CA6CA5ACA9CA14
SCHEMBL438800 0.77 ALDH1A1 (0.41) CA3CA6CA5ACA9CA14
SCHEMBL366147 0.76 TSHR (0.54) CA3CA6CA5ACA9CA14
SCHEMBL593480 0.74 SLC6A4 (0.39) PTGS1HTR2ACYP1A2CYP3A4CYP2D6
SCHEMBL337001 0.74 SLC6A4 (0.42) HTR2ANPC1MEN1CYP2D6MAPT
SCHEMBL6121805 0.74 TTR (0.57) IDO1MEN1USP2CYP3A4CYP2D6
SCHEMBL333943 0.73 CA3 (0.41) CA3CA6CA5ACA9CA14
SCHEMBL25357651 0.72 CA3 (0.46) CA3CA6CA5ACA9CA14
SCHEMBL31114606 0.72 CA3 (0.46) CA3CA6CA5ACA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118515534-B Multi-tooth ligand, multi-tooth ligand metal catalyst, and preparation method and application thereof 华南理工大学 2024-11-05 CN claimed
CN-118515534-A Multi-tooth ligand, multi-tooth ligand metal catalyst, and preparation method and application thereof 华南理工大学 2024-08-20 CN claimed
US-12503445-B2 Compounds and their use ASTRAZENECA AB (SE) 2025-12-23 US disclosed
CN-120077035-A As CX32,4, 6-Trisubstituted 1,3, 5-triazines as modulators of CR1 阿斯利康(瑞典)有限公司 2025-05-30 CN disclosed
CN-119968369-A Cytotoxic imidazo [1,2-a ] pyridine compounds and their use in therapy 迈里克斯制药有限公司 2025-05-09 CN disclosed
US-20240383862-A1 COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2024-11-21 US disclosed
CN-118515534-B Multi-tooth ligand, multi-tooth ligand metal catalyst, and preparation method and application thereof 华南理工大学 2024-11-05 CN disclosed
CN-118871440-A 3-Substituted pyridazine compounds as SMARCA2 and/or SMARCA4 degrading agents 奥瑞基尼肿瘤有限公司 2024-10-29 CN disclosed
CN-118515534-A Multi-tooth ligand, multi-tooth ligand metal catalyst, and preparation method and application thereof 华南理工大学 2024-08-20 CN disclosed
CN-117580826-A NLRP3 inflammation corpuscle inhibitor 阿斯利康(瑞典)有限公司 2024-02-20 CN disclosed
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2024-02-15 US disclosed
CN-115417856-A Pharmaceutical application of substituted heteroaraliphthalazine derivatives and preparation method thereof 成都奥睿药业有限公司 2022-12-02 CN disclosed
US-11090304-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-08-17 US disclosed
US-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2019-11-14 US disclosed
US-20130053407-A1 PYRROLO [3,2-D] PYRIMIDIN-3-YL DERIVATIVES USED AS ACTIVATORS OF AMPK GLAXOSMITHKLINE LLC (US) 2013-02-28 US disclosed
EP-2265583-B1 SPIROINDOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-12 EP disclosed
EP-2265583-A1 SPIROINDOLINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-12-29 EP disclosed
US-7723372-B2 Spiroindolinone derivatives HOFFMAN-LA ROCHE INC. (US) 2010-05-25 US disclosed
WO-2009115425-A1 SPIROINDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-24 WO disclosed
US-20090239889-A1 Spiroindolinone Derivatives LIU JIN-JUN 2009-09-24 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 (7 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-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CA3 3397/4885CA6 3264/4885CA5A 2764/4885
US-11090304-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS CA3 3397/4885CA6 3264/4885CA5A 2764/4885
US-20240383862-A1 COMPOUNDS AND THEIR USE NLRP3, PYCARD, NLRP1 CA3 4547/4885CA6 4686/4885CA5A 3114/4885
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CA3 3397/4885CA6 3264/4885CA5A 2764/4885
US-20090239889-A1 Spiroindolinone Derivatives CCNY, RB1, NQO1 CA3 4292/4885CA6 4172/4885CA5A 1186/4885
US-12503445-B2 Compounds and their use NLRP3, PYCARD, NLRP1 CA3 4547/4885CA6 4686/4885CA5A 3114/4885
US-20130053407-A1 PYRROLO [3,2-D] PYRIMIDIN-3-YL DERIVATIVES USED AS ACTIVATORS OF AMPK PRKAG2, PRKAB2, PRKAG3 CA3 4791/4885CA6 4717/4885CA5A 1906/4885

“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.