SCHEMBL6516751

SCHEMBL6516751

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.64
KAT2B Q92831 1/20 0.48
MAPT P10636 7/20 0.46
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
MERTK Q12866 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CCR6 P51684 1/20 0.40

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
SCHEMBL6518931 0.98 VCAM1 (0.62) VCAM1KAT2BMAPTMAPK1TDP1
Zinc Ion SCHEMBL6513181 0.98 VCAM1 (0.62) VCAM1KAT2BMAPTMAPK1TDP1
SCHEMBL6513178 0.98 VCAM1 (0.62) VCAM1KAT2BMAPTMAPK1TDP1
SCHEMBL6518933 0.98 VCAM1 (0.62) VCAM1KAT2BMAPTMAPK1TDP1
SCHEMBL6518935 0.98 VCAM1 (0.62) VCAM1KAT2BMAPTMAPK1TDP1
SCHEMBL4477143 0.82 VCAM1 (0.70) VCAM1KAT2BMAPTMAPK1TDP1
SCHEMBL8143514 0.79 VCAM1 (0.66) VCAM1KAT2BMAPTMAPK1TDP1
SCHEMBL323126 0.78 VCAM1 (0.64) VCAM1KAT2BMAPTMAPK1TDP1
SCHEMBL4056837 0.78 VCAM1 (0.64) VCAM1KAT2BMAPTMAPK1TDP1
SCHEMBL7983550 0.78 VCAM1 (0.64) VCAM1KAT2BMAPTMAPK1TDP1

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 124 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
EP-3292893-B1 GOLF BALL SUMITOMO RUBBER IND (JP) 2021-06-09 EP disclosed
EP-2656882-B1 Golf ball SUMITOMO RUBBER IND (JP) 2021-06-09 EP disclosed
EP-3156441-B1 GOLF BALL SUMITOMO RUBBER IND (JP) 2020-11-25 EP disclosed
EP-3329971-B1 GOLF BALL SUMITOMO RUBBER IND (JP) 2020-11-18 EP disclosed
EP-2666521-B1 Golf ball SUMITOMO RUBBER IND (JP) 2020-09-02 EP disclosed
US-20200109110-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2020-04-09 US disclosed
EP-2669326-B1 Golf ball SUMITOMO RUBBER IND (JP) 2019-06-12 EP disclosed
US-10286258-B2 Golf ball SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2019-05-14 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-20120142453-A1 GOLF BALL SRI SPORTS LIMITED (JP) 2012-06-07 US disclosed
US-6919393-B2 Solid golf ball SRI SPORTS LIMITED (JP) 2005-07-19 US disclosed
US-20030144425-A1 Solid golf ball SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2003-07-31 US disclosed
US-20030144427-A1 Solid golf ball SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2003-07-31 US disclosed
EP-0034759-B1 CHROMOGEN CEPHALOSPORINS AND PROCESS FOR THEIR PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1986-01-02 EP disclosed
US-4535156-A DECTECTION OF BETA-LACTAMINASE AND BETA-LACTAMASE INHIBITORS HOECHST AKTIENGESELLSCHAFT (DE) 1985-08-13 US disclosed
EP-0034759-A2 Chromogen cephalosporins and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1981-09-02 EP disclosed
US-4066641-A METHOD FOR CYCLIZATION TO GIVE CEPHEM RING HAMASHIMA YOSHIO 1978-01-03 US 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 (3 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 VCAM1 255/4885KAT2B 4435/4885MAPT 4253/4885
US-20200109110-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 VCAM1 255/4885KAT2B 4435/4885MAPT 4253/4885
US-11046644-B2 Sulfur derivatives as chemokine receptor modulators CX3CR1, CXCR2, CCR2 VCAM1 255/4885KAT2B 4435/4885MAPT 4253/4885

“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.