SCHEMBL376839

SCHEMBL376839

COC1(Cc2ccccc2F)CCC(=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
IDO1 P14902 2/20 0.35
CYP2C9 P11712 2/20 0.35
MEN1 O00255 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
SLC1A2 P43004 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
TAAR1 Q96RJ0 3/20 0.33
RAB9A P51151 1/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 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
SCHEMBL376968 0.83 MEN1 (0.36) KMT2ACYP2C9MEN1ALDH1A1KDM4E
SCHEMBL376843 0.82 POLB (0.38) KMT2AIDO1CYP2C9MEN1L3MBTL1
SCHEMBL376658 0.82 TAAR1 (0.37) KMT2AIDO1CYP2C9MEN1ALDH1A1
SCHEMBL8111586 0.80 SLC6A2 (0.39) KMT2AIDO1CYP2C9ALDH1A1CYP3A4
SCHEMBL13503988 0.79 ALDH1A1 (0.35) KMT2AIDO1ALDH1A1KDM4ETAAR1
SCHEMBL4825666 0.78 HSD17B3 (0.44) KMT2ACYP2C9MEN1
SCHEMBL3209509 0.77 TAAR1 (0.41) KMT2ACYP2C9MEN1L3MBTL1ALDH1A1
SCHEMBL377003 0.77 ALDH1A1 (0.38) KMT2AIDO1MEN1L3MBTL1ALDH1A1
SCHEMBL13503628 0.75 OPRL1 (0.36) IDO1CYP3A4CYP2C19TAAR1
SCHEMBL27566544 0.73 DPP4 (0.47) KMT2AMEN1ALDH1A1CYP3A4KDM4E

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 5 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-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 KMT2A 1794/4885IDO1 4425/4885CYP2C9 4374/4885
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters BAX, BCL2, BAD KMT2A 1794/4885IDO1 4425/4885CYP2C9 4374/4885

“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.