SCHEMBL21140974

SCHEMBL21140974

CN1CCN(C2CS(=O)(=O)C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
DPP4 P27487 1/20 0.32
L3MBTL3 Q96JM7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL13559780 0.82 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1KDM4EL3MBTL3L3MBTL1
SCHEMBL21039571 0.78 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1HPGD
SCHEMBL21124355 0.78 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1HPGD
SCHEMBL31250298 0.77 POLB (0.54) SMN1; SMN2ALDH1A1HPGDPOLBKDM4E
SCHEMBL12774215 0.76 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1KDM4EL3MBTL3L3MBTL1
SCHEMBL24912208 0.76 SMN1; SMN2 (0.43) SMN1; SMN2MAPT
SCHEMBL2102997 0.73 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1HPGDPOLB
SCHEMBL7008499 0.73 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1HPGDPOLBKDM4E
SCHEMBL81624 0.73 L3MBTL1 (0.39) ALDH1A1TDP1KDM4EL3MBTL3L3MBTL1
SCHEMBL22618146 0.72 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020247298-A2 1-PYRAZOLYL, 5-, 6- DISUBSTITUTED INDAZOLE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2020-12-10 WO disclosed
US-10821115-B2 Compounds that inhibit Mcl-1 protein AMGEN INC. (US) 2020-11-03 US disclosed
US-10766869-B2 Triazoles for the treatment of demyelinating dieases VERTEX PHARMACEUTCALS INCORPORATED (US) 2020-09-08 US disclosed
US-20200171043-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2020-06-04 US disclosed
US-20190185436-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMA (US) 2019-06-20 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 (4 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-10821115-B2 Compounds that inhibit Mcl-1 protein MCL1, BCL9, BCL2L1 SMN1; SMN2 1842/4885ALDH1A1 1575/4885HPGD 2609/4885
US-10766869-B2 Triazoles for the treatment of demyelinating dieases PMP22, MYT1, IDE SMN1; SMN2 119/4885ALDH1A1 568/4885HPGD 1990/4885
US-20190185436-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES PMP22, MYT1, IKZF3 SMN1; SMN2 32/4885ALDH1A1 1464/4885HPGD 2649/4885
US-20200171043-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 SMN1; SMN2 1842/4885ALDH1A1 1575/4885HPGD 2609/4885

“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.