SCHEMBL22897010

SCHEMBL22897010

CC(CCC(C)c1cccc2ccccc12)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.40
CASR P41180 5/20 0.39
BMP1 P13497 2/20 0.37

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
SCHEMBL2152151 0.78 CA1 (0.43)
SCHEMBL820089 0.74 ALDH1A1 (0.47) SLC6A4CASR
SCHEMBL20647149 0.72 CA12 (0.45)
SCHEMBL7705711 0.72 ALDH1A1 (0.48) SLC6A4CASR
SCHEMBL19203475 0.71 SLC6A4 (0.41) SLC6A4CASR
SCHEMBL6492647 0.71 ALDH1A1 (0.52)
SCHEMBL7382719 0.71 ALDH1A1 (0.44) SLC6A4CASR
SCHEMBL536861 0.71 ALDH1A1 (0.47) SLC6A4CASR
SCHEMBL820090 0.71 ALDH1A1 (0.47) SLC6A4CASR
SCHEMBL5610397 0.71 ALDH1A1 (0.47) SLC6A4CASR

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-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 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 (3 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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 SLC6A4 4316/4885CASR 417/4885BMP1 4078/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 SLC6A4 4062/4885CASR 1197/4885BMP1 4389/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 SLC6A4 4316/4885CASR 417/4885BMP1 4078/4885

“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.