SCHEMBL22130637

SCHEMBL22130637

CC1=CC(=O)C(=O)c2c(C)cn(S(C)(=O)=O)c21

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELAVL1 Q15717 1/20 0.34
CES1 P23141 1/20 0.33
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
MAPK1 P28482 1/20 0.30
RECQL P46063 1/20 0.30
RAB9A P51151 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
TXNRD1 Q16881 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL22130639 0.79 ELAVL1 (0.47) ELAVL1KDM4EMEN1ALDH1A1POLB
SCHEMBL22130642 0.71 ELAVL1 (0.36) ELAVL1CES1
SCHEMBL22130658 0.70 ELAVL1 (0.59) ELAVL1
SCHEMBL22130643 0.68
SCHEMBL22130661 0.63 ELAVL1 (0.65) ELAVL1ALDH1A1POLBMAPTL3MBTL1
SCHEMBL22130669 0.62 ELAVL1 (0.64) ELAVL1
SCHEMBL15996294 0.57 ALDH1A1 (0.32) ALDH1A1NPSR1
SCHEMBL15996300 0.55
SCHEMBL14046079 0.54 NQO1 (0.31)
SCHEMBL3624714 0.54 ALDH1A1 (0.50) CES1KDM4EMEN1NPC1USP2

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-10689342-B2 Aza-tanshinone derivatives, process for their preparation and their use in therapy UNIVERSITA' DEGLI STUDI DI TRENTO (IT) 2020-06-23 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-10689342-B2 Aza-tanshinone derivatives, process for their preparation and their use in therapy AZI2, TPMT, TYMS ELAVL1 2765/4885CES1 2178/4885KDM4E 374/4885

“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.