Sugi Predict

Sugi Predict / Compounds / SCHEMBL9933797

SCHEMBL9933797

SCHEMBL9933797

N#Cc1ccc(SCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ CYP2C19 P33261 2/20 0.57
▸ HPGD P15428 2/20 0.57
▸ GSTP1 P09211 1/20 0.51
▸ GSTM2 P28161 1/20 0.51
▸ MAOA P21397 2/20 0.50
▸ MAOB P27338 2/20 0.50
▸ VCAM1 P19320 2/20 0.49
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MAPT P10636 3/20 0.45
▸ CCR2 P41597 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ EGFR P00533 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ PKM P14618 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
SCHEMBL2018745 0.79 PDE7A (0.62) HPGDGSTP1GSTM2MAOAMAOB
SCHEMBL8668348 0.79 PDE7A (0.62) CYP1A2CYP3A4CYP2C19HPGDGSTP1
SCHEMBL10263365 0.79 CYP3A4 (0.61) CYP1A2CYP3A4CYP2C19HPGDGSTP1
SCHEMBL6519015 0.78 VCAM1 (0.62) VCAM1MEN1KMT2AMAPTALDH1A1
SCHEMBL5376331 0.78 MEN1 (0.65) CYP1A2CYP3A4CYP2C19HPGDGSTP1
SCHEMBL13220796 0.77 HPGD (0.73) CYP1A2CYP3A4CYP2C19HPGDGSTP1
SCHEMBL5404463 0.76 MAPT (0.49) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL11973713 0.76 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C19HPGDGSTP1
SCHEMBL11086830 0.76 ALDH1A1 (0.62) CYP1A2CYP3A4CYP2C19HPGDGSTP1
SCHEMBL14383981 0.76 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C19HPGDGSTP1

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 63 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 disclosed
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
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
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-9663460-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2017-05-30 — — US disclosed
US-20130165460-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-06-27 — — US disclosed
US-20130165460-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-06-27 — — 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-8450367-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2013-05-28 — — 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
US-20120157487-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 — — 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 (5 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 CYP1A2 4234/4885CYP3A4 2823/4885CYP2C19 3411/4885
US-20130165460-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 CYP1A2 4234/4885CYP3A4 2823/4885CYP2C19 3411/4885
US-20200109110-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 CYP1A2 4234/4885CYP3A4 2823/4885CYP2C19 3411/4885
US-10287243-B2 Sulfur derivatives as chemokine receptor modulators CX3CR1, CXCR2, CCR2 CYP1A2 4234/4885CYP3A4 2823/4885CYP2C19 3411/4885
US-11046644-B2 Sulfur derivatives as chemokine receptor modulators CX3CR1, CXCR2, CCR2 CYP1A2 4234/4885CYP3A4 2823/4885CYP2C19 3411/4885

“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.