SCHEMBL3223413

SCHEMBL3223413

Cc1cn(N)c2ccc(S(C)(=O)=O)cc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 7/20 0.43
▸ PTGS1 P23219 5/20 0.43
▸ G6PD P11413 1/20 0.39
▸ IDE P14735 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ PARG Q86W56 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ SCARB1 Q8WTV0 2/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ SCN2B O60939 1/20 0.36
▸ SCN1B Q07699 1/20 0.36
▸ SCN5A Q14524 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL19538883 0.76 CREBBP (0.42) PTGS2PTGS1HTR6PARGSCARB1
SCHEMBL8545810 0.72 HTR6 (0.50) HTR6
SCHEMBL3223533 0.70 AKR1C3 (0.41) PTGS2G6PDIDELMNA
SCHEMBL3221418 0.68 ADRB2 (0.46) HTR6ALDH1A1
SCHEMBL2228430 0.67 L3MBTL1 (0.50) G6PDIDELMNAALDH1A1
SCHEMBL3216753 0.67 G6PD (0.40) PTGS2G6PDIDEHTR6LMNA
SCHEMBL3226961 0.67 KIF11 (0.41) PTGDR2SCN2BSCN1BSCN5ASCN9A
SCHEMBL758951 0.66 LMNA (0.64) PTGS2G6PDIDELMNAALDH1A1
SCHEMBL27873084 0.66 ADRB2 (0.58) HTR6
SCHEMBL863161 0.66 PTGS2 (0.58) PTGS2PTGS1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 — — EP claimed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 — — US claimed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 — — US claimed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 — — EP claimed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 — — WO claimed
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 — — EP disclosed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 — — US disclosed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 — — US disclosed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 — — EP disclosed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 — — 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 (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-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, HRH4 PTGS2 129/4885PTGS1 17/4885G6PD 240/4885

“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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