SCHEMBL25567982

SCHEMBL25567982

CC(C)CCN1CC[C@@H](NC(=S)NC(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 2/20 0.40
CYP2D6 P10635 1/20 0.39
PARP1 P09874 2/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
ROCK2 O75116 2/20 0.34
ROCK1 Q13464 2/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
FPR3 P25089 1/20 0.33
FPR2 P25090 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
SCHEMBL25567976 1.00 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL25570022 0.84 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL25567977 0.82 KDM5A (0.43) ALDH1A1CYP2C9CYP2D6PARP1GLA
SCHEMBL25567971 0.82 KDM5A (0.43) ALDH1A1CYP2C9CYP2D6PARP1GLA
SCHEMBL6961934 0.77 LTA4H (0.48) ALDH1A1PARP1FPR3FPR2
SCHEMBL28249224 0.77 LTA4H (0.40) PARP1FPR3FPR2
SCHEMBL12443040 0.77 LTA4H (0.48) ALDH1A1PARP1FPR3FPR2
SCHEMBL25579419 0.77 LTA4H (0.48) ALDH1A1PARP1FPR3FPR2
SCHEMBL24783388 0.76 ROCK2 (0.39) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL22387941 0.76 ROCK2 (0.39) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19

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-20230167105-A1 BCL-2 PROTEIN INHIBITORS RECURIUM IP HOLDINGS, LLC 2023-06-01 US disclosed
US-20230167105-A1 BCL-2 PROTEIN INHIBITORS RECURIUM IP HOLDINGS, LLC 2023-06-01 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-20230167105-A1 BCL-2 PROTEIN INHIBITORS BCL2, BCL2L1, BCL2L2 ALDH1A1 2821/4885CYP1A2 3362/4885CYP3A4 4411/4885

“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.