SCHEMBL9934864

SCHEMBL9934864

Nc1cc(Cl)ccc1SCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 10/20 0.58
PDE7B Q9NP56 4/20 0.48
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL19336517 0.79 SLC6A4 (0.56) PDE7ASLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL27560726 0.79 PDE7A (0.51) PDE7APDE7BALDH1A1TSHRSMN1; SMN2
SCHEMBL9934029 0.77 CYP1A2 (0.57) PDE7AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL16772670 0.76 ALDH1A1 (0.49) PDE7AALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL14978063 0.76 SLC6A4 (0.56) SLC6A2SLC6A4SLC6A3SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL16756194 0.75 TSHR (0.48) PDE7AALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL8327260 0.74 KMT2A (0.61) PDE7AALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL20535310 0.74 NPC1 (0.49) PDE7APDE7BALDH1A1TSHRSMN1; SMN2
SCHEMBL7607819 0.73 PDE7A (1.00) PDE7APDE7BSMN1; SMN2MEN1KMT2A
SCHEMBL8668348 0.73 PDE7A (0.62) PDE7APDE7BALDH1A1SMN1; SMN2MEN1

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 26 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-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
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-9328067-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2016-05-03 US disclosed
US-20140221481-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-08-07 US disclosed
US-8791161-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2014-07-29 US disclosed
EP-2651893-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-23 EP 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 (10 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 PDE7A 721/4885PDE7B 1116/4885SLC6A2 2449/4885
US-20120157487-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 PDE7A 721/4885PDE7B 1116/4885SLC6A2 2449/4885
US-20130190338-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 PDE7A 721/4885PDE7B 1116/4885SLC6A2 2449/4885
US-20130165460-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 PDE7A 721/4885PDE7B 1116/4885SLC6A2 2449/4885
US-20130237552-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 PDE7A 721/4885PDE7B 1116/4885SLC6A2 2449/4885
US-20200109110-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 PDE7A 721/4885PDE7B 1116/4885SLC6A2 2449/4885
US-20130252984-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 PDE7A 721/4885PDE7B 1116/4885SLC6A2 2449/4885
US-10287243-B2 Sulfur derivatives as chemokine receptor modulators CX3CR1, CXCR2, CCR2 PDE7A 721/4885PDE7B 1116/4885SLC6A2 2449/4885
US-20140221481-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 PDE7A 721/4885PDE7B 1116/4885SLC6A2 2449/4885
US-11046644-B2 Sulfur derivatives as chemokine receptor modulators CX3CR1, CXCR2, CCR2 PDE7A 721/4885PDE7B 1116/4885SLC6A2 2449/4885

“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.