SCHEMBL1116656

SCHEMBL1116656

CCCCOc1cc(Cl)ccc1C(=O)NCC(OC)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
KDM4E B2RXH2 2/20 0.45
POLB P06746 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
THRB P10828 1/20 0.45
RECQL P46063 1/20 0.45
TP53 P04637 1/20 0.44
FOLH1 Q04609 1/20 0.44
AKR1B1 P15121 2/20 0.44
AKR1B10 O60218 1/20 0.44
TSHR P16473 2/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 3/20 0.43
SMPD1 P17405 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL1106929 0.82 AKR1C3 (0.53) LMNAL3MBTL1TP53AKR1B1KMT2A
SCHEMBL16433347 0.79 KLKB1 (0.46) LMNAKDM4EPOLBTDP1L3MBTL1
SCHEMBL2562971 0.78 ALDH1A1 (0.55) LMNAPOLBTDP1L3MBTL1THRB
SCHEMBL16348371 0.77 CDK1 (0.56) LMNAKDM4ETDP1KMT2AMEN1
SCHEMBL11436370 0.76 FADS1 (0.48) LMNAKDM4ERECQLKMT2AMEN1
SCHEMBL20505282 0.75 HPGD (0.49) KDM4ETDP1L3MBTL1TP53FOLH1
SCHEMBL13108649 0.74 MEN1 (0.57) LMNAKDM4EPOLBTDP1L3MBTL1
SCHEMBL1154092 0.72 KDM4E (0.54) LMNAKDM4EPOLBTDP1L3MBTL1
SCHEMBL13754012 0.72 LMNA (0.78) LMNAPOLBTDP1L3MBTL1THRB
SCHEMBL22589537 0.71 KMT2A (0.45) LMNAKDM4EPOLBRECQLKMT2A

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
EP-1939175-B1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO (JP) 2017-03-01 EP 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-8153793-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-04-10 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 (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-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, PTGDR2, CNR2 LMNA 3756/4885KDM4E 2626/4885POLB 4020/4885

“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.