SCHEMBL23855052

SCHEMBL23855052

CC(C)C(CS)NC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
PTGS2 P35354 1/20 0.40
THPO P40225 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ENPEP Q07075 3/20 0.34
MME P08473 2/20 0.33
ANPEP P15144 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
PTGS1 P23219 1/20 0.32

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
SCHEMBL23855050 1.00 ACE (0.41) ACEKDM4EMAPTTHRBALOX15
SCHEMBL23788262 0.81 KDM4E (0.50) ACEKDM4EMAPTTHRBALOX15
SCHEMBL23788213 0.81 KDM4E (0.50) ACEKDM4EMAPTTHRBALOX15
SCHEMBL1261511 0.78 CNR1 (0.39) CYP2D6CYP2C19MMECA1CA2
SCHEMBL1120240 0.78 CNR1 (0.39) CYP2D6CYP2C19MMECA1CA2
SCHEMBL6722400 0.78 TAS1R3 (0.42) ACESMN1; SMN2CYP2D6CYP2C19MME
SCHEMBL16648831 0.78 CNR1 (0.39) CYP2D6CYP2C19MMECA1CA2
SCHEMBL22370920 0.76 CYP2D6 (0.36) CYP2D6CYP2C19CA1CA2CA7
SCHEMBL5577040 0.76 CYP2D6 (0.36) CYP2D6CYP2C19CA1CA2CA7
SCHEMBL15543175 0.76 CYP2D6 (0.36) CYP2D6CYP2C19CA1CA2CA7

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-20210300912-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF Ikena Oncology, Inc. 2021-09-30 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-20210300912-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 ACE 2384/4885KDM4E 2120/4885MAPT 4673/4885

“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.