SCHEMBL20647679

SCHEMBL20647679

COc1ccc(C(O)Nc2cc(F)c(F)c(F)c2)cc1S(=O)(=O)N1CC(O)COCC1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ ALPL P05186 8/20 0.36
▸ TSHR P16473 3/20 0.36
▸ USP2 O75604 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CPT2 P23786 1/20 0.33
▸ CPT1A P50416 1/20 0.33
▸ CPT1B Q92523 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
SCHEMBL20647673 0.83 ALDH1A1 (0.51) ALDH1A1ALPLTSHRSMN1; SMN2CYP1A2
SCHEMBL16903207 0.82 LMNA (0.46) ALDH1A1TSHRUSP2SMN1; SMN2KDM4E
SCHEMBL20647803 0.78 CYP3A4 (0.35) CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL16903204 0.77 CPT1A (0.50) ALDH1A1TSHRSMN1; SMN2KDM4ELMNA
SCHEMBL20647814 0.74 CYP3A4 (0.33) ALDH1A1TSHRSMN1; SMN2CYP1A2CYP2D6
SCHEMBL16903206 0.73 CPT1A (0.50) ALDH1A1TSHRSMN1; SMN2LMNACPT2
SCHEMBL20647772 0.71 ALDH1A1 (0.43) ALDH1A1TSHRSMN1; SMN2CYP1A2CYP2D6
SCHEMBL20647821 0.71 OPRM1 (0.31) —
SCHEMBL20647810 0.70 CYP3A4 (0.41) ALDH1A1TSHRSMN1; SMN2CYP1A2CYP2D6
SCHEMBL20647807 0.69 SMN1; SMN2 (0.48) ALDH1A1TSHRSMN1; SMN2CYP1A2CYP2D6

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-10392349-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2019-08-27 — — US disclosed
US-20190016682-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2019-01-17 — — 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-20190016682-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 ALDH1A1 2038/4885ALPL 984/4885TSHR 3422/4885
US-10392349-B2 Azepane derivatives and methods of treating hepatitis B infections HAVCR2, HDGF, AZI2 ALDH1A1 2038/4885ALPL 984/4885TSHR 3422/4885

“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.

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