SCHEMBL1107052

SCHEMBL1107052

CNC(=O)c1ccc(Cl)cc1OCC(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 7/20 0.52
AKR1B10 O60218 1/20 0.52
LMNA P02545 1/20 0.51
PTGDR Q13258 1/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.51
PTGS2 P35354 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FLT1 P17948 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL11285247 0.85 MAPT (0.55) AKR1B1AKR1B10LMNAPTGDRPTGDR2
SCHEMBL1107061 0.85 ABL1 (0.54) AKR1B1AKR1B10LMNAPTGDRPTGDR2
SCHEMBL31743132 0.82 FLT1 (0.62) LMNASMN1; SMN2FLT1FLT4KDR
SCHEMBL7979805 0.82 FLT1 (0.62) LMNASMN1; SMN2FLT1FLT4KDR
SCHEMBL19212900 0.79 ALDH1A1 (0.60) LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL1107026 0.79 LMNA (0.57) LMNAPTGDRPTGDR2PTGS2TDP1
SCHEMBL1107029 0.79 PTGDR (0.59) LMNAPTGDRPTGDR2PTGS2TDP1
SCHEMBL4627361 0.78 PTGDR (0.58) LMNAPTGDRPTGDR2PTGS2TDP1
2,4-Dichlorophenoxyacetic Acid, Methyl Ester SCHEMBL5004223 0.77 MAPT (0.70) LMNAPTGDRPTGDR2TDP1TSHR
SCHEMBL25337618 0.77 PTGDR (0.56) LMNAPTGDRPTGDR2PTGS2TDP1

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
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
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 AKR1B1 544/4885AKR1B10 806/4885LMNA 3756/4885

“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.