SCHEMBL7169121

SCHEMBL7169121

CC(C)c1cc(CC(=O)c2ccc(F)cc2)ccc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
HTT P42858 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ACE2 Q9BYF1 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK14 Q16539 1/20 0.39
XBP1 P17861 1/20 0.39
HIF1A Q16665 1/20 0.39
DPP4 P27487 1/20 0.38
PTPN1 P18031 1/20 0.38
HTR7 P34969 1/20 0.38
NR4A2 P43354 1/20 0.38
HSP90AA1 P07900 1/20 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
SCHEMBL7159999 0.83 LMNA (0.47) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL7288273 0.77 KEAP1 (0.48) ACE2
SCHEMBL7167952 0.74 SRD5A2 (0.62) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL6201900 0.74 RAB9A (0.59) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL1356407 0.72 ACE2 (0.67) ACE2MAPTKDM4ETP53PTPN1
SCHEMBL23071534 0.72 PPARA (0.49) ACE2
SCHEMBL18326341 0.71 ALOX5 (0.52) LMNANPC1RAB9AMAPK1MAPK14
SCHEMBL31151831 0.70 NPC1 (0.69) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL71493 0.69 L3MBTL1 (0.56) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL682591 0.69 L3MBTL1 (0.67) LMNASMN1; SMN2NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6583126-B2 Treating diabetes, obesity, and diabetes-related diseases. MERCK EROSST CANADA & CO. 2003-06-24 US disclosed
EP-1242432-A1 PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) MERCK FROSST CANADA INC. (CA) 2002-09-25 EP disclosed
US-20020052344-A1 Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase IB (PTP-IB) MERCK FROSST CANADA LTD. (CA) 2002-05-02 US disclosed
WO-2001046205-A1 PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) MERCK FROSST CANADA & CO. (CA) 2001-06-28 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 (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-20020052344-A1 Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase IB (PTP-IB) PTPRO, PTPRC, PPM1B LMNA 4531/4885HTT 1784/4885SMN1; SMN2 4523/4885

“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.