SCHEMBL376254

SCHEMBL376254

CCOC(=O)c1ccc(N2CCC(O)(Cc3ccccc3F)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
TSHR P16473 2/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
TRPV4 Q9HBA0 1/20 0.43
TP53 P04637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HPGD P15428 3/20 0.42
HTT P42858 3/20 0.42
METAP1 P53582 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CASP1 P29466 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CACNA1B Q00975 1/20 0.41

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
SCHEMBL376530 0.87 ALDH1A1 (0.44) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL5239394 0.80 ALDH1A1 (0.63) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL1742057 0.78 TDP1 (0.45) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL376253 0.76 MRGPRX4 (0.39) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL13183440 0.76 ALDH1A1 (0.57) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL2941901 0.76 HTT (0.55) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL2951762 0.76 HPGD (0.55) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL22015905 0.75 HPGD (0.65) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL20188098 0.75 HPGD (0.65) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL2943824 0.74 KMT2A (0.61) ALDH1A1TSHRMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765778-B1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2012-01-25 EP disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
US-7585858-B2 N-sulfonylcarboximidamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-09-08 US disclosed
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters ABBVIE INC. 2005-12-08 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-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BAD ALDH1A1 2354/4885TSHR 4115/4885MEN1 4383/4885
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters BAX, BCL2, BAD ALDH1A1 2354/4885TSHR 4115/4885MEN1 4383/4885

“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.