SCHEMBL25735232

SCHEMBL25735232

Cc1ccc(S(=O)(=O)OCCCCCC2CCN(C(=O)c3cccs3)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ HTT P42858 3/20 0.48
▸ KCNA5 P22460 1/20 0.45
▸ GAA P10253 3/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ MMP1 P03956 2/20 0.43
▸ MMP9 P14780 2/20 0.43
▸ MMP13 P45452 2/20 0.43
▸ MMP3 P08254 1/20 0.43
▸ MMP7 P09237 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ LMNA P02545 5/20 0.43
▸ HSD17B10 Q99714 2/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ TSHR P16473 2/20 0.41

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
SCHEMBL25278785 0.87 ALDH1A1 (0.47) ALDH1A1HTTKCNA5GAAMAPK1
SCHEMBL25642109 0.85 ALDH1A1 (0.45) ALDH1A1KCNA5PKMRAB9ALMNA
SCHEMBL25273247 0.78 SMN1; SMN2 (0.53) ALDH1A1HTTGAASMN1; SMN2NPC1
SCHEMBL19834817 0.78 GPR119 (0.49) ALDH1A1NPC1RAB9ALMNACASP7
SCHEMBL25278094 0.78 SMN1; SMN2 (0.53) ALDH1A1HTTGAASMN1; SMN2NPC1
SCHEMBL19834770 0.77 HDAC3 (0.52) ALDH1A1KCNA5SMN1; SMN2RAB9ALMNA
SCHEMBL25235675 0.75 SMN1; SMN2 (0.48) ALDH1A1HTTGAASMN1; SMN2NPC1
SCHEMBL22032226 0.75 GPR119 (0.68) MMP13GPR119
SCHEMBL31746376 0.75 GPR119 (0.68) MMP13GPR119
SCHEMBL30020119 0.74 GPR119 (0.48) ALDH1A1NPC1RAB9ALMNAGPR119

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-20230192651-A1 Pyrrolidine Derivative and Use Thereof WANG, ZHEMING (CN) 2023-06-22 — — 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-20230192651-A1 Pyrrolidine Derivative and Use Thereof NAMPT, NAPRT, NNMT ALDH1A1 1525/4885HTT 630/4885KCNA5 2331/4885

“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.

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