SCHEMBL20128488

SCHEMBL20128488

CS(=O)(=O)NC(c1ccc(F)cc1)(c1ccc(F)cc1)[C@@H]1CCCN1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 4/20 0.41
SIGMAR1 Q99720 3/20 0.39
SLC6A12 P48065 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
MCHR1 Q99705 1/20 0.39
SPHK1 Q9NYA1 2/20 0.39
SPHK2 Q9NRA0 1/20 0.39
SLC18A3 Q16572 1/20 0.38
CHRM4 P08173 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 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
SCHEMBL20128482 0.92 SPHK1 (0.40) SPHK1SPHK2
SCHEMBL19903894 0.88 CACNA1G (0.39) CACNA1GSIGMAR1SLC6A12TMEM97MCHR1
SCHEMBL20128487 0.85 SPHK1 (0.40) SIGMAR1SPHK1SPHK2
SCHEMBL20128485 0.78 WNT3 (0.36) SPHK1SPHK2
SCHEMBL20128496 0.78 BCHE (0.42) CACNA1GSIGMAR1SLC6A12TMEM97MCHR1
SCHEMBL20128497 0.77 SPHK2 (0.44) CACNA1GSIGMAR1SLC6A12TMEM97MCHR1
SCHEMBL9891867 0.70 GBA1 (0.47) SIGMAR1SPHK1SPHK2SLC18A3
SCHEMBL24926340 0.70 ACHE (0.45) SPHK1SPHK2ACHE
SCHEMBL17805425 0.70 TACR1 (0.46) SPHK1SPHK2
SCHEMBL18801726 0.70 TACR1 (0.46) SPHK1SPHK2

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-10040760-B2 Pyrrolidine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-08-07 US disclosed
US-20180127364-A1 PYRROLIDINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-10 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 (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-20180127364-A1 PYRROLIDINE COMPOUND CAT, POLI, PPOX CACNA1G 2904/4885SIGMAR1 3221/4885SLC6A12 4618/4885
US-10040760-B2 Pyrrolidine compound CAT, POLI, PPOX CACNA1G 2904/4885SIGMAR1 3221/4885SLC6A12 4618/4885

“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.