SCHEMBL3983019

SCHEMBL3983019

CCn1cc(C(=O)O)c(=O)c2cc(CCCNC(=O)OC(C)(C)C)cnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ABCC4 O15439 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
CASP1 P29466 1/20 0.41
P2RY14 Q15391 1/20 0.41
TSHR P16473 4/20 0.39
HIF1A Q16665 1/20 0.39
CYP2C9 P11712 2/20 0.38
ATP6V1B2 P21281 1/20 0.38
TBXA2R P21731 1/20 0.38
EDNRA P25101 1/20 0.38
TARBP2 Q15633 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 3/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL3974878 0.90 TSHR (0.41) LMNAMEN1KMT2ATSHRKDM4E
SCHEMBL5425044 0.83 KDM4E (0.53) LMNAMEN1KMT2AP2RY14TSHR
SCHEMBL5472039 0.83 LMNA (0.40) LMNAMEN1KMT2AABCC4PKM
Trifluoroacetic Acid SCHEMBL3973337 0.78 LMNA (0.45) LMNAMEN1KMT2AABCC4PKM
SCHEMBL4392504 0.78 ALDH1A1 (0.48) LMNAMEN1KMT2AP2RY14TSHR
SCHEMBL4392512 0.78 ALDH1A1 (0.48) LMNAMEN1KMT2AP2RY14TSHR
SCHEMBL4176225 0.77 P2RY14 (0.43) LMNAMEN1KMT2AP2RY14TSHR
SCHEMBL4176799 0.76 ALDH1A1 (0.43) P2RY14TSHRKDM4EALDH1A1HSD17B10
SCHEMBL3812661 0.76 KDM4E (0.48) LMNAMEN1KMT2ATSHRKDM4E
SCHEMBL3982471 0.75 LMNA (0.49) LMNAMEN1KMT2AABCC4PKM

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-7569550-B2 14 and 15 membered ring compounds GLAXO GROUP LIMITED (GB) 2009-08-04 US disclosed
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20070185117-A1 Novel 14 and 15 membrered ring compounds GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
EP-1628988-B1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LTD (GB) 2006-10-04 EP disclosed
EP-1628988-A1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-03-01 EP disclosed
WO-2004101586-A1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-11-25 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-20070185117-A1 Novel 14 and 15 membrered ring compounds CYP51A1, LSS, IL17A LMNA 2615/4885MEN1 1658/4885KMT2A 4774/4885
US-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 LMNA 1055/4885MEN1 1765/4885KMT2A 3931/4885

“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.