SCHEMBL22207388

SCHEMBL22207388

CC(C)CN(C(=O)CCl)C1CCS(=O)(=O)C1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.68
ALDH1A1 P00352 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.53
POLB P06746 1/20 0.53
ATM Q13315 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL22481612 0.83 PIN1 (0.73) PIN1ALDH1A1L3MBTL1POLBATM
SCHEMBL23928919 0.81 PIN1 (1.00) PIN1ALDH1A1L3MBTL1
SCHEMBL27246196 0.81 PIN1 (1.00) PIN1ALDH1A1L3MBTL1
SCHEMBL27246195 0.81 PIN1 (1.00) PIN1ALDH1A1L3MBTL1
SCHEMBL23961059 0.79 PIN1 (0.67) PIN1ALDH1A1L3MBTL1
SCHEMBL22481614 0.77 PIN1 (0.64) PIN1ALDH1A1L3MBTL1
SCHEMBL23928922 0.77 PIN1 (0.63) PIN1ALDH1A1L3MBTL1
SCHEMBL22481537 0.76 PIN1 (0.63) PIN1ALDH1A1L3MBTL1POLB
SCHEMBL23928923 0.75 PIN1 (0.62) PIN1ALDH1A1L3MBTL1
SCHEMBL22481546 0.73 PIN1 (0.59) PIN1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113939285-B Modulators of Pin1 activity and uses thereof 耶达研究及发展有限公司 2024-11-01 CN disclosed
CN-113939285-A Modulators of Pin1 activity and uses thereof 耶达研究及发展有限公司 2022-01-14 CN disclosed
EP-3908268-A1 MODULATORS OF PIN1 ACTIVITY AND USES THEREOF Yeda Research and Development Co. Ltd (IL) 2021-11-17 EP disclosed
US-20210332024-A1 MODULATORS OF PIN1 ACTIVITY AND USES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2021-10-28 US disclosed
US-20210332024-A1 MODULATORS OF PIN1 ACTIVITY AND USES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2021-10-28 US disclosed
WO-2020144695-A1 MODULATORS OF PIN1 ACTIVITY AND USES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2020-07-16 WO 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-20210332024-A1 MODULATORS OF PIN1 ACTIVITY AND USES THEREOF PIN1, CNKSR1, PPIL1 PIN1 1/4885ALDH1A1 3322/4885L3MBTL1 563/4885

“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.