SCHEMBL23775601

SCHEMBL23775601

CS(=O)(=O)N1CC[C@H](CN)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.43
TSHR P16473 4/20 0.39
ALDH1A1 P00352 4/20 0.38
TP53 P04637 1/20 0.38
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 1/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.34
NR1D1 P20393 1/20 0.34
GLA P06280 1/20 0.33

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
SCHEMBL21277813 1.00 NCF1 (0.43) NCF1TSHRALDH1A1TP53ATM
SCHEMBL1700144 1.00 NCF1 (0.43) NCF1TSHRALDH1A1TP53ATM
SCHEMBL954911 0.89 TSHR (0.44) NCF1TSHRALDH1A1ATMNPSR1
SCHEMBL964176 0.88 NCF1 (0.52) NCF1TSHRALDH1A1TP53ATM
Hydrochloric Acid SCHEMBL927894 0.86 NCF1 (0.50) NCF1TSHRALDH1A1TP53ATM
SCHEMBL16977563 0.84 NCF1 (0.43) NCF1TSHRALDH1A1TP53L3MBTL1
SCHEMBL23145045 0.83 NCF1 (0.41) NCF1ALDH1A1
SCHEMBL16977617 0.83 NCF1 (0.34) NCF1ALDH1A1TP53ATML3MBTL1
SCHEMBL10289418 0.82 TP53 (0.43) TSHRALDH1A1TP53ATML3MBTL1
SCHEMBL24456475 0.82 TP53 (0.43) TSHRALDH1A1TP53ATML3MBTL1

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-11236122-B2 Triterpene amine derivatives DFH THERAPEUTICS (US) 2022-02-01 US disclosed
US-20210253627-A1 TRITERPENE AMINE DERIVATIVES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-08-19 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-20210253627-A1 TRITERPENE AMINE DERIVATIVES BET1, PGGT1B, NFATC1 NCF1 2119/4885TSHR 4117/4885ALDH1A1 3332/4885
US-11236122-B2 Triterpene amine derivatives BET1, PGGT1B, NFATC1 NCF1 2119/4885TSHR 4117/4885ALDH1A1 3332/4885

“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.