SCHEMBL3017326

SCHEMBL3017326

Cc1ccc2[nH]c(C)c(S(=O)(=O)c3ccc(Cl)cc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
POLB P06746 3/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46
PTGS2 P35354 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
EGFR P00533 1/20 0.44
SRC P12931 1/20 0.44
PTGS1 P23219 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 2/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL7477961 0.82 KMT2A (0.49) AKR1B1PTGDR2POLBDUSP3PTPN5
SCHEMBL4612168 0.80 EGFR (0.47) PTGS2KMT2AMEN1EGFRSRC
SCHEMBL3010277 0.77 ALDH1A1 (0.44) PTGDR2POLBPTGS2KMT2AMEN1
SCHEMBL7477659 0.77 ALDH1A1 (0.51) PTGS2KMT2AMEN1EGFRSRC
SCHEMBL8126205 0.76 TUBB4A (0.48) AKR1B1PTGDR2POLBKMT2AMEN1
SCHEMBL11336102 0.75 ALDH1A1 (0.50) POLBPTGS2KMT2AMEN1ALDH1A1
SCHEMBL3012967 0.72 PTGS2 (0.46) PTGDR2POLBDUSP3PTPN5PTPN11
SCHEMBL3010919 0.71 ALDH1A1 (0.43) AKR1B1PTGDR2PTGS2KMT2AMEN1
SCHEMBL4543167 0.71 KDM4E (0.52) POLBDUSP3PTPN5PTPN11ALDH1A1
SCHEMBL3476947 0.71 HTR1A (0.47) POLBDUSP3PTPN5PTPN11PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197756-A1 Indole-3-Sulphur Derivatives ASTRAZENECA AB (SE) 2010-08-05 US disclosed
US-7723373-B2 Indole-3-sulphur derivatives ASTRAZENECA AB (SE) 2010-05-25 US disclosed
EP-1551802-B1 INDOLE-3-SULPHUR DERIVATIVES ASTRAZENECA AB (SE) 2009-12-02 EP disclosed
US-20060111426-A1 Indole-3-sulphur derivaties ASTRAZENECA AB (SE) 2006-05-25 US 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-20100197756-A1 Indole-3-Sulphur Derivatives IDO1, IDO2, INMT AKR1B1 1827/4885PTGDR2 525/4885POLB 4688/4885
US-20060111426-A1 Indole-3-sulphur derivaties IDO1, IDO2, INMT AKR1B1 860/4885PTGDR2 674/4885POLB 4820/4885

“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.