SCHEMBL26227699

SCHEMBL26227699

CC(C)c1ccc(C(=O)NC2CC3(C2)CC(c2nc4cc(Cl)ccc4o2)C3)o1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 3/20 0.38
▸ SENP7 Q9BQF6 2/20 0.38
▸ FFAR2 O15552 1/20 0.38
▸ PTGES O14684 9/20 0.38
▸ PTGS2 P35354 2/20 0.38
▸ MAPT P10636 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL30570407 1.00 CASP3 (0.38) CASP3SENP7FFAR2PTGESPTGS2
SCHEMBL26227697 0.90 PTGES (0.39) CASP3SENP7PTGESPTGS2MAPT
SCHEMBL24470360 0.89 MAPT (0.39) PTGESPTGS2MAPTNPSR1NPC1
SCHEMBL30570406 0.89 MAPT (0.39) PTGESPTGS2MAPTNPSR1NPC1
SCHEMBL30570410 0.89 PTGES (0.38) PTGESPTGS2MAPTNPSR1NPC1
SCHEMBL26227707 0.89 PTGES (0.38) PTGESPTGS2MAPTNPSR1NPC1
SCHEMBL26227682 0.89 HPGD (0.44) PTGESPTGS2MAPTNPSR1NPC1
SCHEMBL29568727 0.88 PTGES (0.38) CASP3SENP7PTGESPTGS2MAPT
SCHEMBL26227885 0.88 PTGES (0.38) CASP3SENP7PTGESPTGS2MAPT
SCHEMBL30570396 0.87 TRPV1 (0.38) CASP3SENP7FFAR2PTGESPTGS2

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-20230286969-A1 AROMATIC SPIRO RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 — — US disclosed
US-20230286969-A1 AROMATIC SPIRO RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 — — 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 (1 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-20230286969-A1 AROMATIC SPIRO RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, NR1H4, SLC10A1 CASP3 2466/4885SENP7 4311/4885FFAR2 3531/4885

“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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