SCHEMBL8064065

SCHEMBL8064065

CCCCOC(=O)N[C@@H](CSc1ccccc1)CC(=O)N(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 3/20 0.47
CTSK P43235 2/20 0.41
PLA2G2A P14555 1/20 0.41
SMN1; SMN2 Q16637 6/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
LMNA P02545 1/20 0.40
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
TSHR P16473 2/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MCL1 Q07820 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL8212610 0.85 PLA2G10 (0.50) PLA2G10CTSKPLA2G2ASMN1; SMN2RAB9A
SCHEMBL10058366 0.84 CASP1 (0.49) CTSKLMNATSHRKMT2A
SCHEMBL3590845 0.81 MTNR1A (0.49) PLA2G10PLA2G2ASMN1; SMN2RAB9ANPC1
SCHEMBL553506 0.81 MTNR1A (0.49) PLA2G10PLA2G2ASMN1; SMN2RAB9ANPC1
SCHEMBL24698678 0.81 ATM (0.46) PLA2G10CTSKMTNR1AMTNR1BTSHR
SCHEMBL19145291 0.80 ALDH1A1 (0.41) PLA2G10PLA2G2ASMN1; SMN2RAB9ANPC1
SCHEMBL19145283 0.79 ALDH1A1 (0.44) PLA2G10CTSKPLA2G2ASMN1; SMN2RAB9A
SCHEMBL19014942 0.78 PLA2G10 (0.45) PLA2G10CTSKPLA2G2ATSHR
SCHEMBL19145104 0.78 P2RY12 (0.40) PLA2G10SMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL19145109 0.77 ALDH1A1 (0.41) PLA2G10PLA2G2ASMN1; SMN2RAB9ANPC1

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
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
WO-2009036051-A1 BCL-2 INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 WO disclosed
WO-2009036035-A1 BCL-2 INHIBITORS CURIS, INC. (US) 2009-03-19 WO disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 WO 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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 PLA2G10 4296/4885CTSK 1656/4885PLA2G2A 3487/4885
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BAD PLA2G10 4423/4885CTSK 2195/4885PLA2G2A 3240/4885

“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.