SCHEMBL25587643

SCHEMBL25587643

CC(C)(C)S(=O)(=O)N1CCCC1c1cncnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
POLB P06746 2/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
USP2 O75604 1/20 0.38
TRPA1 O75762 3/20 0.38
CHRNA7 P36544 2/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRNA2 Q15822 2/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
PSIP1 O75475 1/20 0.36
HTR3B O95264 1/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
MAPT P10636 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
SCHEMBL25587874 1.00 ALDH1A1 (0.41) ALDH1A1POLBCYP3A4CYP2C19USP2
SCHEMBL24015594 0.84 CYP11B2 (0.46) ALDH1A1POLBCYP3A4CYP2C19USP2
SCHEMBL25587649 0.83 CYP3A4 (0.60) ALDH1A1POLBCYP3A4CYP2C19USP2
SCHEMBL25587644 0.83 CYP3A4 (0.60) ALDH1A1POLBCYP3A4CYP2C19USP2
SCHEMBL25587647 0.83 CYP3A4 (0.60) ALDH1A1POLBCYP3A4CYP2C19USP2
SCHEMBL25587645 0.82 TP53 (0.44) ALDH1A1POLBCYP3A4CYP2C19USP2
SCHEMBL25587651 0.82 TP53 (0.44) ALDH1A1POLBCYP3A4CYP2C19USP2
SCHEMBL25587650 0.82 TP53 (0.44) ALDH1A1POLBCYP3A4CYP2C19USP2
SCHEMBL25587630 0.79 RIPK1 (0.52) ALDH1A1POLBCYP3A4CYP2C19TRPA1
SCHEMBL25587628 0.79 RIPK1 (0.52) ALDH1A1POLBCYP3A4CYP2C19TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 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-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 ALDH1A1 3813/4885POLB 1569/4885CYP3A4 4382/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP ALDH1A1 3857/4885POLB 1991/4885CYP3A4 4072/4885

“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.