SCHEMBL1107026

SCHEMBL1107026

COC(=O)COc1cc(Cl)ccc1C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.57
▸ PTGDR2 Q9Y5Y4 2/20 0.56
▸ PTGDR Q13258 1/20 0.56
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ TDP1 Q9NUW8 3/20 0.51
▸ GAA P10253 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ PTGS2 P35354 1/20 0.50
▸ MAPT P10636 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ ESR1 P03372 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ ESR2 Q92731 1/20 0.48
▸ CTDSP1 Q9GZU7 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ TSHR P16473 1/20 0.48

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
SCHEMBL4887579 0.87 CYP1A2 (0.69) LMNAPTGDR2PTGDRCYP1A2CYP2C9
SCHEMBL8857861 0.86 ALDH1A1 (0.55) PTGDR2CYP1A2CYP2C9HIF1ATDP1
SCHEMBL1107029 0.84 PTGDR (0.59) LMNAPTGDR2PTGDRCYP1A2CYP2C9
SCHEMBL29994190 0.83 PTGDR2 (0.58) LMNAPTGDR2CYP1A2CYP2C9HIF1A
SCHEMBL28243840 0.83 TDP1 (0.70) LMNACYP2C9TDP1GAAALDH1A1
SCHEMBL339942 0.83 PTGDR2 (0.74) PTGDR2PTGDRTDP1MAPTTSHR
SCHEMBL11453385 0.83 SMN1; SMN2 (0.52) LMNAPTGDR2CYP1A2CYP2C9ALDH1A1
Dimethylamine SCHEMBL20503859 0.83 TDP1 (0.70) PTGDR2PTGDRTDP1MAPTTSHR
Hydrochloric Acid SCHEMBL3533163 0.82 PTGDR2 (0.72) PTGDR2PTGDRTDP1MAPTTSHR
SCHEMBL28688933 0.82 SMN1; SMN2 (0.54) LMNACYP1A2TDP1GAAALDH1A1

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 15 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-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-1979355-B1 SPIRO IMIDAZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2010-08-18 — — EP disclosed
US-20090137610-A1 SPIRO IMIDOZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2009-05-28 — — US disclosed
US-20090137610-A1 SPIRO IMIDOZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2009-05-28 — — US disclosed
US-20090137610-A1 SPIRO IMIDOZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2009-05-28 — — US disclosed
EP-1979355-A1 SPIRO IMIDAZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2008-10-15 — — EP disclosed
EP-1939175-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY Shionogi&Co., Ltd. (JP) 2008-07-02 — — EP disclosed
WO-2007087448-A1 SPIRO IMIDAZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2007-08-02 — — WO 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 (2 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 3756/4885PTGDR2 2/4885PTGDR 1/4885
US-20090137610-A1 SPIRO IMIDOZOLE DERIVATIVES AS PPAR MODULATORS PPARD, PPARG, PPARA LMNA 2231/4885PTGDR2 179/4885PTGDR 112/4885

“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.

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