SCHEMBL8227014

SCHEMBL8227014

O=S(=O)(Nc1ccc(-c2cc(-c3ncco3)ccc2Cl)cc1)c1ccncc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.39
AKT1 P31749 1/20 0.39
ACLY P53396 1/20 0.39
ALPL P05186 1/20 0.38
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
SGK1 O00141 6/20 0.37
ALDH1A1 P00352 1/20 0.36
SCN9A Q15858 1/20 0.36
PTPN2 P17706 2/20 0.36
PTPN1 P18031 2/20 0.36
PTPN5 P54829 2/20 0.36
HSPD1 P10809 1/20 0.36
HSPE1 P61604 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36

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
SCHEMBL8233270 0.88 PIK3CD (0.45) PIK3CAAKT1EDNRBEDNRA
SCHEMBL14377331 0.88 SGK1 (0.36) PIK3CAAKT1ACLYEDNRBEDNRA
SCHEMBL5029428 0.87 PIK3CA (0.45) PIK3CASGK1KDM4EGLARAB9A
SCHEMBL5029416 0.85 KDM4E (0.48) SGK1CYP3A4SGK3SGK2KDM4E
SCHEMBL5029432 0.84 SGK1 (0.45) PIK3CAACLYEDNRBEDNRASGK1
SCHEMBL8234352 0.80 ACLY (0.45) PIK3CAAKT1ACLYALPLEDNRB
SCHEMBL5032067 0.79 GPR119 (0.46) ACLYEDNRBEDNRAALDH1A1PTPN2
SCHEMBL14377329 0.76 PIK3CD (0.44) PIK3CAAKT1EDNRBEDNRA
SCHEMBL4762873 0.76 IL2 (0.49) FAAHEPHX2
SCHEMBL5097294 0.75 RORC (0.46) PIK3CAEDNRBEDNRA

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-20140242120-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-08-28 US disclosed
US-20140242120-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-08-28 US disclosed
US-8741960-B2 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-06-03 US disclosed
US-8741960-B2 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-06-03 US disclosed
US-20070249050-A1 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US disclosed
US-20070249050-A1 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US disclosed
WO-2007087441-A2 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 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-20070249050-A1 Substituted aromatic compounds for inflammation and immune-related uses CCR1, NLRP1, NLRP3 PIK3CA 2811/4885AKT1 2712/4885ACLY 1689/4885
US-20140242120-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, NLRP1, NLRP3 PIK3CA 2811/4885AKT1 2712/4885ACLY 1689/4885

“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.