SCHEMBL3928736

SCHEMBL3928736

O=S(=O)(Cl)c1ccc2ccccc2c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 1/20 0.50
CTRB1 P17538 1/20 0.50
LDHA P00338 1/20 0.47
ERN1 O75460 1/20 0.47
PAX8 Q06710 1/20 0.45
HPRT1 P00492 1/20 0.43
CHEK1 O14757 1/20 0.42
CDK8 P49336 1/20 0.42
NEK2 P51955 1/20 0.42
LIMK1 P53667 1/20 0.42
HCRTR1 O43613 1/20 0.41
MPL P40238 1/20 0.41
CTRC Q99895 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2A6 P11509 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL30383446 0.82 CTRB1 (0.64) PTPN22CTRB1LDHAERN1CHEK1
SCHEMBL88069 0.82 CTRB1 (0.64) PTPN22CTRB1LDHAERN1CHEK1
Hydrochloric Acid SCHEMBL27766336 0.82 CTRB1 (0.64) PTPN22CTRB1LDHAERN1CHEK1
SCHEMBL1819743 0.81 CTRB1 (0.62) PTPN22CTRB1LDHAERN1CHEK1
SCHEMBL5145547 0.81 CA1 (0.60) PTPN22CTRB1LDHAERN1CA1
SCHEMBL7158072 0.81 CTRB1 (0.62) PTPN22CTRB1LDHAERN1CHEK1
Potassium SCHEMBL2292044 0.81 CTRB1 (0.62) PTPN22CTRB1LDHAERN1CHEK1
SCHEMBL7194110 0.81 CTRB1 (0.62) PTPN22CTRB1LDHAERN1CHEK1
Ammonia Solution, Strong SCHEMBL7758965 0.81 CTRB1 (0.62) PTPN22CTRB1LDHAERN1CHEK1
Ammonia Solution, Strong SCHEMBL27594855 0.81 CTRB1 (0.62) PTPN22CTRB1LDHAERN1CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501981-B2 CXCR2 inhibitors SANOFI (FR) 2013-08-06 US disclosed
US-20090227625-A1 CXCR2 INHIBITORS SANOFI-AVENTIS (FR) 2009-09-10 US disclosed
CN-101478962-A Novel CXCR2 inhibitors SANOFI AVENTIS (FR) 2009-07-08 CN disclosed
EP-2040688-A1 NEW CXCR2 INHIBITORS Sanofi-Aventis (FR) 2009-04-01 EP disclosed
WO-2008000409-A1 NEW CXCR2 INHIBITORS SANOFI-AVENTIS (FR) 2008-01-03 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-20090227625-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 PTPN22 134/4885CTRB1 1047/4885LDHA 3431/4885

“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.