SCHEMBL9934029

SCHEMBL9934029

Nc1cc(Cl)ccc1SCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
MAPT P10636 4/20 0.54
ALDH1A1 P00352 4/20 0.54
LMNA P02545 2/20 0.54
TP53 P04637 1/20 0.54
HTT P42858 1/20 0.54
CCR2 P41597 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PDE7A Q13946 4/20 0.46
IDO1 P14902 2/20 0.46
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.45
SLC29A1 Q99808 1/20 0.43
GFER P55789 1/20 0.43
LOXL2 Q9Y4K0 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
SCHEMBL19336513 0.87 SLC6A2 (0.43) CYP1A2CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL16772670 0.85 ALDH1A1 (0.49) CYP1A2CYP2C9CYP2C19MAPTALDH1A1
Hydrochloric Acid SCHEMBL16756194 0.84 TSHR (0.48) CYP1A2CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL10826128 0.81 POLB (0.61) CYP1A2CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL1820581 0.80 ALDH1A1 (0.64) CYP1A2CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL15133705 0.78 RAB9A (0.47) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL9933780 0.77 POLB (0.65) CYP1A2CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL10239782 0.77 MEN1 (0.41) ALDH1A1LMNACCR2MEN1KMT2A
SCHEMBL9934864 0.77 PDE7A (0.58) CYP1A2CYP2C19MAPTALDH1A1LMNA
SCHEMBL5052654 0.76 CYP1A2 (0.73) CYP1A2CYP2C9CYP2C19MAPTALDH1A1

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 37 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-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
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-20170050925-A9 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. 2017-02-23 US disclosed
US-20170050925-A9 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. 2017-02-23 US disclosed
EP-3050873-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2016-08-03 EP disclosed
US-9371278-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2016-06-21 US disclosed
US-20130237552-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-09-12 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-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-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 (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-20170050925-A9 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 CYP1A2 4234/4885CYP2C9 2805/4885CYP2C19 3411/4885
US-20120157487-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 CYP1A2 4234/4885CYP2C9 2805/4885CYP2C19 3411/4885
US-20130190338-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 CYP1A2 4234/4885CYP2C9 2805/4885CYP2C19 3411/4885
US-20130165460-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 CYP1A2 4234/4885CYP2C9 2805/4885CYP2C19 3411/4885
US-20130237552-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 CYP1A2 4234/4885CYP2C9 2805/4885CYP2C19 3411/4885
US-20200109110-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 CYP1A2 4234/4885CYP2C9 2805/4885CYP2C19 3411/4885
US-10287243-B2 Sulfur derivatives as chemokine receptor modulators CX3CR1, CXCR2, CCR2 CYP1A2 4234/4885CYP2C9 2805/4885CYP2C19 3411/4885
US-11046644-B2 Sulfur derivatives as chemokine receptor modulators CX3CR1, CXCR2, CCR2 CYP1A2 4234/4885CYP2C9 2805/4885CYP2C19 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.