SCHEMBL20128491

SCHEMBL20128491

CC(=O)[C@H](O)[C@@H](C=O)CCOCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.43
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
FOLH1 Q04609 1/20 0.38

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
SCHEMBL20128499 1.00 CTSB (0.43) CTSBCYP2C19ALDH1A1HTTSMN1; SMN2
SCHEMBL20132790 0.85 LMNA (0.45) CTSBCYP2C19ALDH1A1HTTSMN1; SMN2
SCHEMBL20132828 0.85 LMNA (0.45) CTSBCYP2C19ALDH1A1HTTSMN1; SMN2
SCHEMBL1800722 0.80 CA1 (0.46) CYP2C19HTTSMN1; SMN2TSHRCA1
SCHEMBL20128498 0.80 NPC1 (0.43) CTSBCYP2C19ALDH1A1HTTSMN1; SMN2
SCHEMBL20128492 0.80 NPC1 (0.43) CTSBCYP2C19ALDH1A1HTTSMN1; SMN2
SCHEMBL9886647 0.79 ALDH1A1 (0.49) CTSBCYP2C19ALDH1A1HTTSMN1; SMN2
SCHEMBL28140385 0.77 CYP2C19 (0.48) CTSBCYP2C19HTTSMN1; SMN2TSHR
SCHEMBL27604046 0.74 TSHR (0.47) CTSBCYP2C19ALDH1A1HTTSMN1; SMN2
SCHEMBL19271697 0.74 NPC1 (0.48) CYP2C19ALDH1A1HTTSMN1; SMN2NPC1

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 CTSB 387/4885CYP2C19 498/4885ALDH1A1 783/4885
US-10040760-B2 Pyrrolidine compound CAT, POLI, PPOX CTSB 387/4885CYP2C19 498/4885ALDH1A1 783/4885

“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.