Sugi Predict

Sugi Predict / Compounds / SCHEMBL22967181

SCHEMBL22967181

SCHEMBL22967181

CCNC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ BRD4 O60885 3/20 0.38
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PDK2 Q15119 2/20 0.34
▸ ANPEP P15144 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ IP6K1 Q92551 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ LPL P06858 1/20 0.33
▸ LIPG Q9Y5X9 1/20 0.33

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
SCHEMBL22281394 0.84 PTGS1 (0.42) PTGS1PTGS2BRD4HDAC6HDAC1
SCHEMBL2215153 0.84 HDAC6 (0.41) PTGS1PTGS2BRD4CA1CA2
SCHEMBL22967164 0.82 CXCR2 (0.41) PTGS1PTGS2BRD4CA1CA2
SCHEMBL13125462 0.79 LMNA (0.38) PTGS2CA1CA2CA9ALDH1A1
SCHEMBL17236447 0.79 CES2 (0.35) CA1CA2CA9HDAC6HDAC1
SCHEMBL325107 0.78 KDM4E (0.43) CA1CA2CA9ALDH1A1MAPT
SCHEMBL22967051 0.77 ROCK1 (0.40) CA1CA2CA9ROCK1LPL
SCHEMBL15570368 0.77 CA12 (0.45) CA1CA2CA9ALDH1A1MAPT
SCHEMBL14242308 0.75 CA9 (0.60) CA1CA2CA9LPLLIPG
SCHEMBL3711933 0.74 ROCK1 (0.46) BRD4CA1CA2CA9ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216386-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2024-07-04 — — US disclosed
US-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2023-01-26 — — US disclosed
EP-4026834-A1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE Redx Pharma Plc (GB) 2022-07-13 — — EP disclosed
EP-3743420-B1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2021-12-15 — — EP disclosed
US-20210038606-A1 Modulators of Rho-associated Protein Kinase REDX PHARMA LIMITED (GB) 2021-02-11 — — 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-20240216386-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA PTGS1 361/4885PTGS2 349/4885BRD4 1023/4885
US-20210038606-A1 Modulators of Rho-associated Protein Kinase ROCK2, ROCK1, RHOA PTGS1 428/4885PTGS2 388/4885BRD4 1009/4885
US-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA PTGS1 361/4885PTGS2 349/4885BRD4 1023/4885

“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.