SCHEMBL4574543

SCHEMBL4574543

CCC(C)CCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.43
CA9 Q16790 3/20 0.43
CA2 P00918 3/20 0.43
CA1 P00915 3/20 0.40
STAT3 P40763 1/20 0.39
ALDH1A1 P00352 6/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
GAA P10253 2/20 0.38
GBA1 P04062 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
VDR P11473 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL9486162 1.00 CA12 (0.43) CA12CA9CA2CA1STAT3
SCHEMBL17233364 0.92 CA9 (0.43) CA12CA9CA2CA1STAT3
SCHEMBL10345660 0.91 CA12 (0.41) CA12CA9CA2CA1STAT3
SCHEMBL9146743 0.91 CA12 (0.41) CA12CA9CA2CA1STAT3
SCHEMBL8143786 0.91 CA12 (0.41) CA12CA9CA2CA1STAT3
SCHEMBL11258848 0.89 CA12 (0.40) CA12CA9CA2CA1STAT3
SCHEMBL14959201 0.89 CA12 (0.49) CA12CA9CA2CA1STAT3
SCHEMBL18590289 0.89 CA12 (0.49) CA12CA9CA2CA1STAT3
SCHEMBL8984151 0.88 CA12 (0.39) CA12CA9CA2CA1STAT3
SCHEMBL3912342 0.87 CA9 (0.40) CA12CA9CA2CA1STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332873-A Protein tyrosine phosphatase inhibitors and methods of use thereof 卡里科生命科学有限责任公司 2023-06-27 CN disclosed
EP-3938038-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Calico Life Sciences LLC (US) 2022-01-19 EP disclosed
US-10851073-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof ABBVIE INC. (US) 2020-12-01 US disclosed
US-20200299246-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2020-09-24 US disclosed
WO-2020186199-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2020-09-17 WO disclosed
EP-2638142-B1 THIOPHENE AZO DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME PROCTER & GAMBLE (US) 2017-05-10 EP disclosed
EP-2638113-B1 THIOPHENE AZO DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME MILLIKEN & CO (US) 2017-01-04 EP disclosed
WO-2011017719-A2 THIOPHENE AZO DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME MILLIKEN & COMPANY (US) 2011-02-10 WO disclosed
WO-2011011799-A2 THIOPHENE AZO DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME THE PROCTER & GAMBLE COMPANY (US) 2011-01-27 WO disclosed
US-20080275032-A1 Pyridazinone compounds ANADYS PHARMACEUTICALS, INC. 2008-11-06 US disclosed
US-20080275032-A1 Pyridazinone compounds ANADYS PHARMACEUTICALS, INC. 2008-11-06 US disclosed
US-20080275032-A1 Pyridazinone compounds ANADYS PHARMACEUTICALS, INC. 2008-11-06 US disclosed
WO-2008082725-A1 PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-07-10 WO disclosed
WO-2008082725-A1 PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-07-10 WO disclosed
EP-0352054-B1 LIQUID CRYSTAL COMPOUND TEIKOKU CHEMICAL INDUSTRY CO., LTD. (JP) 1993-02-10 EP disclosed
EP-0352054-A2 Liquid crystal compound TEIKOKU CHEMICAL INDUSTRY CO., LTD. (JP) 1990-01-24 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-10851073-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof PTPN1, PTPN2, PTPN18 CA12 4465/4885CA9 3742/4885CA2 2713/4885
US-20080275032-A1 Pyridazinone compounds HAVCR2, PLPBP, CYP3A43 CA12 4845/4885CA9 4861/4885CA2 4878/4885
US-20200299246-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPN1, PTPN2, PTPN18 CA12 4465/4885CA9 3742/4885CA2 2713/4885

“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.