SCHEMBL9935155

SCHEMBL9935155

C[S+]([O-])c1ccc(Cl)cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.48
ALDH1A1 P00352 4/20 0.48
TSHR P16473 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALOX15 P16050 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
TP53 P04637 1/20 0.46
HPGD P15428 2/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
ABL1 P00519 1/20 0.38
POLB P06746 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL9629038 0.83 ALDH1A1 (0.52) CYP3A4ALDH1A1TSHRSMN1; SMN2ALOX15
SCHEMBL17733556 0.78 TP53 (0.44) CYP3A4ALDH1A1TSHRSMN1; SMN2TDP1
SCHEMBL18883501 0.77 TDP1 (0.50) CYP3A4ALDH1A1TSHRSMN1; SMN2ALOX15
SCHEMBL10263080 0.75 SLC6A2 (0.34)
SCHEMBL28602950 0.75 TSHR (0.34) CYP3A4ALDH1A1TSHRSMN1; SMN2TP53
SCHEMBL9629921 0.75 TSHR (0.47) CYP3A4ALDH1A1TSHRSMN1; SMN2ALOX15
Hydrochloric Acid SCHEMBL1017633 0.75 CYP2A6 (0.39) CYP3A4ALDH1A1TSHRSMN1; SMN2ALOX15
SCHEMBL13040417 0.74 TP53 (0.44) CYP3A4ALDH1A1TSHRALOX15TDP1
SCHEMBL1404710 0.73 ALDH1A1 (0.52) CYP3A4ALDH1A1TSHRALOX15TDP1
SCHEMBL13936035 0.73 ALDH1A1 (0.52) CYP3A4ALDH1A1TSHRALOX15TDP1

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 60 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
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-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 CYP3A4 2823/4885ALDH1A1 2553/4885TSHR 697/4885
US-20130165460-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 CYP3A4 2823/4885ALDH1A1 2553/4885TSHR 697/4885
US-20200109110-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 CYP3A4 2823/4885ALDH1A1 2553/4885TSHR 697/4885
US-10287243-B2 Sulfur derivatives as chemokine receptor modulators CX3CR1, CXCR2, CCR2 CYP3A4 2823/4885ALDH1A1 2553/4885TSHR 697/4885
US-11046644-B2 Sulfur derivatives as chemokine receptor modulators CX3CR1, CXCR2, CCR2 CYP3A4 2823/4885ALDH1A1 2553/4885TSHR 697/4885

“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.