SCHEMBL5053232

SCHEMBL5053232

CC(c1ccsc1)P(=O)(O)C(C(C(=O)O)c1ccccc1)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.38
ALOX5 P09917 1/20 0.35
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
PTPN1 P18031 1/20 0.32
KMT2A Q03164 1/20 0.31
HDAC3 O15379 6/20 0.31
HDAC4 P56524 6/20 0.31
HDAC1 Q13547 6/20 0.31
HDAC6 Q9UBN7 6/20 0.31
HDAC7 Q8WUI4 3/20 0.31
HDAC2 Q92769 3/20 0.31
HDAC10 Q969S8 3/20 0.31
HDAC11 Q96DB2 3/20 0.31
HDAC8 Q9BY41 3/20 0.31
HDAC9 Q9UKV0 3/20 0.31
HDAC5 Q9UQL6 3/20 0.31
HPGD P15428 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
SCHEMBL5052875 0.80 CYP2D6 (0.40) CYP2D6LMNATSHRKMT2AHPGD
SCHEMBL5053234 0.75 CYP2D6 (0.41) CYP2D6TSHR
SCHEMBL27862589 0.71 CYP2D6 (0.47) CYP2D6ALOX5IDO1TDO2LMNA
SCHEMBL8461609 0.71 CYP2D6 (0.41) CYP2D6ALOX5IDO1TDO2LMNA
SCHEMBL5060151 0.71 ALOX5 (0.37) ALOX5IDO1TDO2KMT2AHDAC3
SCHEMBL5053070 0.71 IDO1 (0.38) ALOX5IDO1TDO2LMNAHDAC3
SCHEMBL5053096 0.71 POLB (0.41) ALOX5IDO1TDO2HPGD
SCHEMBL5511566 0.70 ALOX5 (0.49) CYP2D6ALOX5IDO1TDO2LMNA
SCHEMBL8461492 0.69 CYP2D6 (0.39) CYP2D6ALOX5IDO1TDO2KMT2A
SCHEMBL8458472 0.68 CYP2D6 (0.47) CYP2D6ALOX5IDO1TDO2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080311037-A1 Compounds which bind PSMA and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-12-18 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-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL CYP2D6 2882/4885ALOX5 4088/4885IDO1 3762/4885

“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.