SCHEMBL4092873

SCHEMBL4092873

CC(C)CC(=O)Nc1cc2ccccc2cc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.58
RAB9A P51151 3/20 0.58
GAA P10253 3/20 0.58
ABCC1 P33527 1/20 0.58
POLB P06746 1/20 0.55
MAPT P10636 3/20 0.53
GFER P55789 1/20 0.53
NGLY1 Q96IV0 1/20 0.53
HPGD P15428 4/20 0.51
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 4/20 0.51
HSD17B10 Q99714 2/20 0.51
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
AKR1C1 Q04828 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ADORA1 P30542 2/20 0.51
LMNA P02545 1/20 0.50
NPC1 O15118 2/20 0.49

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
SCHEMBL2841346 0.81 PTPN1 (0.66) PTPN1SMN1; SMN2GAAABCC1POLB
SCHEMBL4103931 0.80 PTPN1 (0.64) PTPN1SMN1; SMN2RAB9AGAAABCC1
SCHEMBL14398972 0.79 PTPN1 (0.59) PTPN1SMN1; SMN2GAAABCC1POLB
SCHEMBL5860670 0.78 PTPN1 (0.70) PTPN1SMN1; SMN2ABCC1POLBMAPT
SCHEMBL14078104 0.77 MEN1 (0.71) SMN1; SMN2RAB9AKDM4EALDH1A1MEN1
SCHEMBL4311266 0.74 PTPN1 (1.00) PTPN1ABCC1MAPTGFERNGLY1
SCHEMBL22022878 0.74 ACLY (0.60) PTPN1SMN1; SMN2ABCC1MAPTGFER
SCHEMBL14078112 0.74 HCAR2 (0.47) PTPN1SMN1; SMN2RAB9AGAAPOLB
SCHEMBL776464 0.74 SMN1; SMN2 (0.59) PTPN1SMN1; SMN2RAB9AGAAPOLB
SCHEMBL6781577 0.74 KMT2A (0.58) SMN1; SMN2RAB9AGAAPOLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090214529-A9 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-08-27 US disclosed
US-20090214529-A9 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-08-27 US disclosed
US-20090214529-A9 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-08-27 US disclosed
WO-2008147852-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-12-04 WO disclosed
WO-2008147852-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-12-04 WO disclosed
US-20080292626-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-11-27 US disclosed
US-20080292626-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-11-27 US disclosed
US-20080292626-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-11-27 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-20090214529-A9 KINESIN INHIBITORS KIF5B, KIF5A, KIF5C PTPN1 4174/4885SMN1; SMN2 166/4885RAB9A 388/4885
US-20080292626-A1 KINESIN INHIBITORS KIF5B, KIF5A, KIF5C PTPN1 4174/4885SMN1; SMN2 166/4885RAB9A 388/4885

“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.