SCHEMBL1116613

SCHEMBL1116613

CCCCOc1cc(Cl)ccc1-c1ncco1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.40
KDM4A O75164 1/20 0.40
KDM5A P29375 1/20 0.40
KDM2B Q8NHM5 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PDGFRB P09619 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 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
SCHEMBL1106920 0.77 PTGER1 (0.47) KDM5AKDM2BKDM4CKDM5BKMT2A
SCHEMBL1107053 0.77 PTGDR (0.46) TDP1KMT2ACYP1A2CYP2C9POLB
SCHEMBL13108757 0.74 ALDH1A1 (0.39) GCGRKDM4AKDM5AKDM2BKDM4C
SCHEMBL28594488 0.73 GRM5 (0.47) ALDH1A1L3MBTL1RAB9ANPC1HSD17B10
SCHEMBL3794601 0.72 L3MBTL1 (0.53) ALDH1A1TDP1L3MBTL1RAB9ANPC1
SCHEMBL16423492 0.71 HSP90AA1 (0.42) ALDH1A1TDP1HSD17B10SMN1; SMN2MEN1
SCHEMBL13441806 0.71 PTGDR2 (0.48) TDP1TSHRMAPT
SCHEMBL17546739 0.71 ALDH1A1 (0.57) ALDH1A1TDP1L3MBTL1RAB9ANPC1
SCHEMBL20505164 0.70 SMN1; SMN2 (0.41) ALDH1A1RAB9ANPC1HSD17B10SMN1; SMN2
SCHEMBL3091622 0.70 CSNK1A1 (0.44) ALDH1A1TDP1L3MBTL1RAB9ANPC1

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 7 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
EP-2407453-A1 PGD2 receptor antagonist Shionogi & Co., Ltd. (JP) 2012-01-18 EP disclosed
EP-2407459-A1 Synthetic intermediate in the production of a sulfonamide derivative having PGD2 receptor antagonistic activity Shionogi & Co., Ltd. (JP) 2012-01-18 EP disclosed
EP-1939175-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY Shionogi&Co., Ltd. (JP) 2008-07-02 EP 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 GCGR 100/4885KDM4A 1713/4885KDM5A 1714/4885

“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.