SCHEMBL1107036

SCHEMBL1107036

COC(=O)COc1cc(Cl)ccc1NC(C)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
PTGDR Q13258 1/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
PTGS2 P35354 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
BRD4 O60885 1/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.44
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL4852258 0.82 KDM4E (0.58) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL11285247 0.79 MAPT (0.55) LMNAPTGDRPTGDR2ALDH1A1MAPT
SCHEMBL1107026 0.79 LMNA (0.57) LMNAPTGDRPTGDR2MEN1KMT2A
SCHEMBL1107029 0.79 PTGDR (0.59) LMNAPTGDRPTGDR2MEN1KMT2A
2,4-Dichlorophenoxyacetic Acid, Methyl Ester SCHEMBL5004223 0.77 MAPT (0.70) LMNAPTGDRPTGDR2MEN1KMT2A
SCHEMBL11280539 0.77 NPC1 (0.61) LMNAPTGDRPTGDR2KMT2AALDH1A1
SCHEMBL1107061 0.77 ABL1 (0.54) LMNAPTGDRPTGDR2MEN1KMT2A
SCHEMBL9994970 0.76 KDM4E (0.55) LMNAMEN1KMT2AKDM4EHSD17B10
SCHEMBL4887579 0.76 CYP1A2 (0.69) LMNAPTGDRPTGDR2MEN1KMT2A
SCHEMBL3222025 0.76 TSHR (0.46) LMNAMEN1KMT2AKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440938-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2016-09-13 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-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
US-8153793-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-04-10 US 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-2407453-A1 PGD2 receptor antagonist 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 LMNA 3756/4885PTGDR 1/4885PTGDR2 2/4885

“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.