SCHEMBL21189488

SCHEMBL21189488

CCOC(=O)c1cccc2c1OCC/C2=N\[S@@+]([O-])C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
CYP3A4 P08684 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP2C9 P11712 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK10 P53779 1/20 0.38
PTK2B Q14289 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
PDK2 Q15119 1/20 0.38
TSHR P16473 3/20 0.38
HPGD P15428 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
SCHEMBL19973511 0.76 TSHR (0.49) MAPTCYP3A4CYP1A2CYP2C19CYP2C9
SCHEMBL26962448 0.75 GPR3 (0.41) MAPTCYP3A4CYP1A2CYP2C19CYP2C9
SCHEMBL21189354 0.74 TP53 (0.43) MAPTRAB9ANPC1ALDH1A1HPGD
SCHEMBL21189352 0.74 TP53 (0.43) MAPTRAB9ANPC1ALDH1A1HPGD
SCHEMBL31316738 0.72 GPR3 (0.38) GPR3
SCHEMBL19508195 0.72 ALDH1A1 (0.43) MAPTCYP3A4CYP1A2CYP2C19CYP2C9
SCHEMBL19508194 0.72 ALDH1A1 (0.43) MAPTCYP3A4CYP1A2CYP2C19CYP2C9
SCHEMBL15469364 0.69 GPR3 (0.49) MEN1KMT2ATSHRGPR3
SCHEMBL26962669 0.69 GPR3 (0.49) MEN1KMT2ATSHRGPR3
SCHEMBL21189240 0.68 TSHR (0.37) MAPTCYP3A4CYP1A2CYP2C19CYP2C9

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 2 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-20190225593-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2019-07-25 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 (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 MAPT 3165/4885CYP3A4 269/4885CYP1A2 530/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS MAPT 3165/4885CYP3A4 269/4885CYP1A2 530/4885

“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.