SCHEMBL25926850

SCHEMBL25926850

CC(C)(C)c1ccc2c(c1)CCS(=O)(=O)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.40
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 4/20 0.32
ALOX15 P16050 3/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 1/20 0.31
PLA2G1B P04054 1/20 0.31
NFKB1 P19838 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31

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
SCHEMBL25926856 0.91 KIF11 (0.39) KIF11HRH3ALDH1A1ALOX15HSD17B10
SCHEMBL20109740 0.83 CCNC (0.36) KIF11HRH3ALDH1A1ALOX15HSD17B10
SCHEMBL23010593 0.78 CA1 (0.40) ALDH1A1HSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL4898485 0.76 KIF11 (0.59) KIF11HRH3CA12CA9
SCHEMBL4595932 0.75 CA2 (0.40) TDP1L3MBTL1CA12CA9
SCHEMBL3600991 0.75
SCHEMBL16118886 0.74 KIF11 (0.37) KIF11ALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL25926911 0.74 TRPV1 (0.37) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL6125098 0.73 NR3C2 (0.34) KIF11ALDH1A1ALOX15HSD17B10HPGD
SCHEMBL19316090 0.72 HTR2C (0.35) NPC1RAB9A

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-20230250095-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF TUOJIE BIOTECH(SHANGHAI) CO., LTD. (CN) 2023-08-10 US disclosed
US-20230250095-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF TUOJIE BIOTECH(SHANGHAI) CO., LTD. (CN) 2023-08-10 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-20230250095-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF P2RX7, P2RX3, P2RX5 KIF11 2329/4885HRH3 1214/4885ALDH1A1 343/4885

“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.