SCHEMBL19973526

SCHEMBL19973526

O=C(O)CCSc1cc(F)ccc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.40
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
DCLRE1B Q9H816 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
FGB P02675 1/20 0.36
POLB P06746 1/20 0.36
PTPRC P08575 1/20 0.36
PTPRG P23470 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 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
SCHEMBL14053505 0.83 ALDH1A1 (0.43) ALDH1A1MAPTCES2CES1CSNK2A2
SCHEMBL9952116 0.80 KEAP1 (0.44) KEAP1ALDH1A1CYP1A2CES2CES1
SCHEMBL28384726 0.77 MAPT (0.44) ALDH1A1MAPTCYP1A2CSNK2A2CSNK2B
SCHEMBL6227141 0.77 POLB (0.52) KEAP1ALDH1A1MAPTCYP1A2CES2
SCHEMBL21189320 0.76 CYP1A2 (0.68) ALDH1A1MAPTCYP1A2POLBPTPRG
SCHEMBL4070485 0.74 KEAP1 (0.48) KEAP1ALDH1A1MAPTCYP1A2CES2
SCHEMBL11823500 0.74 ALDH1A1 (0.46) ALDH1A1MAPTCYP1A2DCLRE1BMEN1
SCHEMBL5507623 0.72 ALDH1A1 (0.53) ALDH1A1MAPTCYP1A2CSNK2A2CSNK2B
SCHEMBL4438684 0.71 KEAP1 (0.50) KEAP1ALDH1A1CYP1A2CES2CES1
SCHEMBL8533536 0.71 RHEB (0.47) KEAP1ALDH1A1MAPTCYP1A2CES2

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-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same ARBUTUS BIOPHARMA CORPORATION (CA) 2021-05-11 US disclosed
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same ARBUTUS BIOPHARMA CORPORATION (CA) 2021-05-11 US disclosed
US-20190225593-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2019-07-25 US disclosed
US-20190225593-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2019-07-25 US disclosed
WO-2018052967-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA, INC. (US) 2018-03-22 WO 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 (2 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-20190225593-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME CBX8, HAVCR2, HCCS KEAP1 2387/4885ALDH1A1 3241/4885MAPT 3165/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS KEAP1 2387/4885ALDH1A1 3241/4885MAPT 3165/4885

“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.