SCHEMBL9934898

SCHEMBL9934898

NC(=O)c1ccccc1SCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.71
SMN1; SMN2 Q16637 4/20 0.71
POLB P06746 3/20 0.71
MEN1 O00255 1/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
KMT2A Q03164 1/20 0.71
MAPT P10636 4/20 0.51
LMNA P02545 4/20 0.51
HTT P42858 4/20 0.50
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
EPHX1 P07099 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
TSHR P16473 2/20 0.48
RXFP1 Q9HBX9 1/20 0.47
CTSB P07858 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL9934096 0.82 POLB (0.56) ALDH1A1SMN1; SMN2POLBMEN1CYP1A2
SCHEMBL11821785 0.81 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2POLBMEN1CYP1A2
SCHEMBL8786280 0.80 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2POLBMEN1CYP1A2
SCHEMBL292247 0.79 KMT2A (0.61) ALDH1A1SMN1; SMN2POLBMEN1CYP1A2
SCHEMBL11820871 0.78 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2POLBMEN1CYP1A2
SCHEMBL13722496 0.75 MEN1 (0.60) ALDH1A1SMN1; SMN2POLBMEN1CYP1A2
SCHEMBL1818910 0.75 MEN1 (0.68) ALDH1A1SMN1; SMN2POLBMEN1CYP1A2
SCHEMBL16772670 0.74 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2POLBMEN1CYP1A2
SCHEMBL9934903 0.74 MAPT (0.47) ALDH1A1SMN1; SMN2POLBMEN1CYP1A2
SCHEMBL7389895 0.74 PTPRG (0.51) ALDH1A1SMN1; SMN2POLBMEN1CYP1A2

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046644-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2021-06-29 US claimed
US-20200109110-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2020-04-09 US claimed
CN-106220618-B Sulfur derivatives as chemokine receptor modulators 阿勒根公司 2019-04-26 CN claimed
EP-3050873-B1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2017-09-13 EP claimed
CN-106220618-A SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS 阿勒根公司 2016-12-14 CN claimed
EP-3050873-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2016-08-03 EP claimed
US-8450367-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2013-05-28 US claimed
US-11046644-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2021-06-29 US disclosed
US-20200109110-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2020-04-09 US disclosed
US-10287243-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2019-05-14 US disclosed
CN-106220618-B Sulfur derivatives as chemokine receptor modulators 阿勒根公司 2019-04-26 CN disclosed
EP-3050873-B1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2017-09-13 EP disclosed
US-9663460-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2017-05-30 US disclosed
US-20130252984-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-09-26 US disclosed
US-20130237552-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-09-12 US disclosed
US-20130190338-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-07-25 US disclosed
US-20130165460-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-06-27 US disclosed
US-8450367-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2013-05-28 US disclosed
US-20120157487-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 US disclosed
WO-2012082566-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 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 (8 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-20120157487-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 ALDH1A1 2553/4885SMN1; SMN2 4664/4885POLB 3493/4885
US-20130190338-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 ALDH1A1 2553/4885SMN1; SMN2 4664/4885POLB 3493/4885
US-20130165460-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 ALDH1A1 2553/4885SMN1; SMN2 4664/4885POLB 3493/4885
US-20130237552-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 ALDH1A1 2553/4885SMN1; SMN2 4664/4885POLB 3493/4885
US-20200109110-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 ALDH1A1 2553/4885SMN1; SMN2 4664/4885POLB 3493/4885
US-20130252984-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 ALDH1A1 2553/4885SMN1; SMN2 4664/4885POLB 3493/4885
US-10287243-B2 Sulfur derivatives as chemokine receptor modulators CX3CR1, CXCR2, CCR2 ALDH1A1 2553/4885SMN1; SMN2 4664/4885POLB 3493/4885
US-11046644-B2 Sulfur derivatives as chemokine receptor modulators CX3CR1, CXCR2, CCR2 ALDH1A1 2553/4885SMN1; SMN2 4664/4885POLB 3493/4885

“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.