SCHEMBL31479931

SCHEMBL31479931

CS(=O)(=O)OCCCCCC(N)C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
ALDH1A1 P00352 3/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
CA12 O43570 2/20 0.40
ANPEP P15144 1/20 0.40
IDO1 P14902 1/20 0.40
LTA4H P09960 2/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A1 P43005 1/20 0.39
DPP4 P27487 1/20 0.39
DPP9 Q86TI2 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL27969874 0.90 ALDH1A1 (0.45) ALDH1A1CA1CA2CA9CA12
SCHEMBL7972991 0.82 ALDH1A1 (0.41) ALDH1A1CA1CA2CA9CA12
SCHEMBL4868531 0.81 CETP (0.51) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL7890503 0.81 CETP (0.51) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL10441465 0.81 IDO1 (0.53) DPP8DPP7ALDH1A1ANPEPIDO1
SCHEMBL4161005 0.81 IDO1 (0.53) DPP8DPP7ALDH1A1ANPEPIDO1
Hydrochloric Acid SCHEMBL21373254 0.80 CETP (0.50) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL29087599 0.80 LMNA (0.56) DPP8DPP7ALDH1A1ANPEPIDO1
SCHEMBL10026046 0.80 ALDH1A1 (0.51) DPP8DPP7ALDH1A1CYP3A4TSHR
SCHEMBL17694105 0.80 ALDH1A1 (0.51) DPP8DPP7ALDH1A1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12264146-B2 Rho kinase inhibitor, method for preparing same and uses thereof BEIJING INCREASE INNOVATIVE DRUG CO., LTD (CN) 2025-04-01 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-12264146-B2 Rho kinase inhibitor, method for preparing same and uses thereof ROCK1, RHOA, ROCK2 DPP8 2216/4885DPP7 2075/4885ALDH1A1 4142/4885

“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.