SCHEMBL4399152

SCHEMBL4399152

O=S(=O)(O)c1cccc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.54
PTGES2 Q9H7Z7 1/20 0.53
PTPN1 P18031 2/20 0.53
ERAP1 Q9NZ08 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49
ACLY P53396 2/20 0.48
PFKFB3 Q16875 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
DHODH Q02127 1/20 0.47
NR1H3 Q13133 1/20 0.46
AGXT P21549 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL27903792 0.84 TSHR (0.59) PTGES2PTPN1CA1CA2PFKFB3
SCHEMBL9996829 0.83 KIF11 (0.54) KIF11PTGES2PTPN1ERAP1CA1
SCHEMBL2947977 0.83 PTPN1 (0.59) KIF11PTGES2PTPN1ERAP1CA1
SCHEMBL3561893 0.83
SCHEMBL3563422 0.83 SYK (0.45) KIF11PTGES2PTPN1PFKFB3DHODH
SCHEMBL2894832 0.82 KIF11 (0.66) KIF11MMP1MMP2MMP9MMP13
SCHEMBL10655412 0.82 TSHR (0.54) PTPN1CA1CA2ALDH1A1TSHR
SCHEMBL975190 0.82 TSHR (0.61) PTPN1CA1CA2PFKFB3ALDH1A1
SCHEMBL3460286 0.81 ITGB1 (0.50) PTPN1CA1CA2MMP1MMP2
SCHEMBL1894783 0.80 CA1 (0.66) CA1CA2MMP1MMP2MMP9

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
US-20080255117-A1 SULFONYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-10-16 US claimed
WO-2008104597-A2 SULFONYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 WO claimed
EP-1964834-A1 Sulphonyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-09-03 EP claimed
EP-1756046-B1 ARYL ALKYL SULFONAMIDES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS UNIV ABERDEEN (GB) 2009-12-09 EP disclosed
US-20080255117-A1 SULFONYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-10-16 US disclosed
WO-2008104597-A2 SULFONYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 WO disclosed
EP-1964834-A1 Sulphonyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-09-03 EP disclosed
US-20080119555-A1 Aryl Alkyl Sulfonamides As Therapeutic Agents For The Treatment Of Bone Conditions THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2008-05-22 US disclosed
EP-1756046-A2 ARYL ALKYL SULFONAMIDES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS The University Court of The University of Aberdeen (GB) 2007-02-28 EP disclosed
WO-2005118528-A2 ARYL ALKYL SULFONAMIDES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2005-12-15 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-20080119555-A1 Aryl Alkyl Sulfonamides As Therapeutic Agents For The Treatment Of Bone Conditions ARSA, CNKSR1, BCL9L KIF11 4843/4885PTGES2 2704/4885PTPN1 320/4885
US-20080255117-A1 SULFONYLTRYPTOPHANOLS FSHR, NPY1R, GNRHR KIF11 2774/4885PTGES2 3574/4885PTPN1 1429/4885

“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.