SCHEMBL21046004

SCHEMBL21046004

Cc1ccc(S(=O)(=O)OC(C)CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.43
CA1 P00915 9/20 0.43
CA9 Q16790 6/20 0.43
CA12 O43570 5/20 0.43
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SYK P43405 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
EGFR P00533 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
XBP1 P17861 1/20 0.37

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
SCHEMBL16935947 1.00 CA2 (0.43) CA2CA1CA9CA12ALDH1A1
SCHEMBL18551136 1.00 CA2 (0.43) CA2CA1CA9CA12ALDH1A1
SCHEMBL5409379 0.88 CA2 (0.43) CA2CA1CA9CA12ALDH1A1
SCHEMBL30761733 0.88 CA2 (0.46) CA2CA1CA9CA12ALDH1A1
SCHEMBL28346387 0.88 CA2 (0.46) CA2CA1CA9CA12ALDH1A1
SCHEMBL30761731 0.88 CA2 (0.46) CA2CA1CA9CA12ALDH1A1
SCHEMBL31155207 0.88 CA2 (0.41) CA2CA1CA9CA12ALDH1A1
SCHEMBL22952575 0.87 CA2 (0.43) CA2CA1CA9CA12ALDH1A1
SCHEMBL24391429 0.86 CA2 (0.42) CA2CA1CA9CA12ALDH1A1
SCHEMBL31628435 0.85 SYK (0.41) CA2CA1CA9CA12ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3822276-B1 HETEROCYCLIC COMPOUND AS TRK INHIBITOR BEIJING INNOCARE PHARMA TECH CO LTD (CN) 2026-01-28 EP disclosed
WO-2025124460-A1 TRICYCLIC FUSED HETEROCYCLIC PDE3/4 DUAL INHIBITOR, AND PREPARATION AND USE THEREFOR 石家庄以岭药业股份有限公司 2025-06-19 WO disclosed
US-11878987-B2 Heterocyclic compound as TRK inhibitor BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2024-01-23 US disclosed
CN-116940354-A Fused heteroaryl compounds and their use as CaMKII inhibitors 卡都瑞恩医药股份有限公司 2023-10-24 CN disclosed
CN-110317214-B Diaryl macrocycles as modulators of protein kinases 特普医药公司 2022-11-22 CN disclosed
CN-110317213-B Diaryl macrocycles as modulators of protein kinases 特普医药公司 2022-10-18 CN disclosed
US-20210147445-A1 HETEROCYCLIC COMPOUND AS TRK INHIBITOR BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2021-05-20 US disclosed
EP-3822276-A1 HETEROCYCLIC COMPOUND AS TRK INHIBITOR Beijing InnoCare Pharma Tech Co., Ltd. (CN) 2021-05-19 EP disclosed
US-20190169207-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES Turning Point Therapeutics, Inc. 2019-06-06 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-20190169207-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, DAPK2 CA2 1766/4885CA1 2377/4885CA9 4029/4885
US-20210147445-A1 HETEROCYCLIC COMPOUND AS TRK INHIBITOR NADK, NTRK3, TNNI3K CA2 3115/4885CA1 3697/4885CA9 2460/4885
US-11878987-B2 Heterocyclic compound as TRK inhibitor NADK, NTRK3, TNNI3K CA2 3115/4885CA1 3697/4885CA9 2460/4885

“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.