SCHEMBL840074

SCHEMBL840074

C=C1NC(=O)C(C(C)C)O1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
BRD4 O60885 1/20 0.38
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL8752764 0.77 LMNA (0.44) LMNAGAABRD4MEN1ALDH1A1
SCHEMBL15631192 0.74 LMNA (0.41) LMNAGAABRD4MEN1ALDH1A1
SCHEMBL790998 0.70
SCHEMBL4968244 0.66 PARP1 (0.62) GAABRD4MEN1ALDH1A1HPGD
SCHEMBL10077947 0.65
SCHEMBL12040072 0.65 BRD4 (0.38) BRD4
SCHEMBL10719706 0.65
SCHEMBL7803656 0.64 LMNA (0.37) LMNAGAA
SCHEMBL1005331 0.64 LMNA (0.34) LMNAGAA
SCHEMBL18322435 0.64 PARP1 (0.42) BRD4MEN1ALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230338311-A1 SUPPRESSION OF INFLAMMASOME ACTIVATION WASHINGTON UNIVERSITY (US) 2023-10-26 US disclosed
US-20230265055-A1 STAT INIHIBITORY COMPOUNDS AND COMPOSITIONS OXFORD FINANCE LLC 2023-08-24 US disclosed
US-20230159445-A1 STAT INHIBITORY COMPOUNDS AND COMPOSITIONS OXFORD FINANCE LLC 2023-05-25 US disclosed
US-20230137956-A1 ALPHA SUBSTITUTED STAT INHIBITORS AND COMPOSITIONS THEREOF OXFORD FINANCE LLC 2023-05-04 US disclosed
US-9440938-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2016-09-13 US disclosed
US-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO (JP) 2015-06-11 US disclosed
US-8623903-B2 Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2014-01-07 US disclosed
US-20120142687-A1 INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY KUGIMIYA AKIRA (JP) 2012-06-07 US disclosed
US-8143285-B2 Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-27 US disclosed
US-20110028717-A1 AZAINDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY KUGIMIYA AKIRA 2011-02-03 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 (7 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-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, PTGDR2, CNR2 LMNA 3756/4885GAA 4013/4885BRD4 462/4885
US-20110028717-A1 AZAINDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, HRH2, PTGDR2 LMNA 3515/4885GAA 4291/4885BRD4 623/4885
US-20230159445-A1 STAT INHIBITORY COMPOUNDS AND COMPOSITIONS STAT5A, STAT5B, STAT3 LMNA 4768/4885GAA 1844/4885BRD4 301/4885
US-20230137956-A1 ALPHA SUBSTITUTED STAT INHIBITORS AND COMPOSITIONS THEREOF STAT5A, STAT5B, STAT3 LMNA 4588/4885GAA 1174/4885BRD4 476/4885
US-20230338311-A1 SUPPRESSION OF INFLAMMASOME ACTIVATION NLRP3, IL1B, NOD2 LMNA 1077/4885GAA 1566/4885BRD4 608/4885
US-20120142687-A1 INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, CYSLTR1, CYSLTR2 LMNA 3646/4885GAA 4786/4885BRD4 484/4885
US-20230265055-A1 STAT INIHIBITORY COMPOUNDS AND COMPOSITIONS STAT5B, STAT5A, STAT3 LMNA 3703/4885GAA 2407/4885BRD4 46/4885

“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.