SCHEMBL1808019

SCHEMBL1808019

NS(=O)(=O)c1cc(Cl)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.57
CA1 P00915 5/20 0.57
HSD17B10 Q99714 4/20 0.50
HPGD P15428 3/20 0.50
ALOX15 P16050 3/20 0.50
ALDH1A1 P00352 3/20 0.50
ALOX12 P18054 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
TSHR P16473 2/20 0.48
P2RX1 P51575 1/20 0.47
CA12 O43570 4/20 0.46
CA9 Q16790 4/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA13 Q8N1Q1 1/20 0.46

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
SCHEMBL3471628 0.84 POLB (0.61) CA2CA1HSD17B10HPGDALOX15
SCHEMBL1045638 0.83 POLB (0.50) CA2CA1HSD17B10HPGDALOX15
SCHEMBL1805528 0.83 POLB (0.50) CA2CA1HSD17B10HPGDALOX15
SCHEMBL30483899 0.83 POLB (0.50) CA2CA1HSD17B10HPGDALOX15
SCHEMBL5194623 0.83 CA2 (0.52) CA2CA1HSD17B10HPGDALOX15
SCHEMBL29852349 0.80 CA1 (0.53) CA2CA1HPGDALOX15ALDH1A1
SCHEMBL2127269 0.80 CA1 (0.53) CA2CA1HPGDALOX15ALDH1A1
SCHEMBL27466384 0.79 CA1 (0.48) CA2CA1HSD17B10HPGDALOX15
SCHEMBL17913250 0.79 CA2 (0.51) CA2CA1HSD17B10HPGDALOX15
SCHEMBL1645034 0.78 CA1 (0.47) CA2CA1CA12CA9CA3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 US disclosed
US-7098212-B2 Piperazine derivatives BLUMBERG LAURA C 2006-08-29 US disclosed
EP-1583533-A1 USE OF PIPERAZINE DERIVATIVES AS CCR1 ANTAGONISTS Pfizer Products Inc. (US) 2005-10-12 EP disclosed
CN-1575283-A Piperazine derivatives having CCR1 receptor antagonist activity PFIZER PROD INC (US) 2005-02-02 CN disclosed
EP-1438298-A1 PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY Pfizer Products Inc. (US) 2004-07-21 EP disclosed
US-20040092529-A1 Methods of using piperazine derivatives PFIZER INC 2004-05-13 US disclosed
WO-2004039376-A1 USE OF PIPERAZINE DERIVATIVES AS CCR1 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2004-05-13 WO disclosed
US-6727359-B2 REACTING PHENOXIDE SULFONYLCHLORIDE AND ACETOACETAMIDE-N-SULFONYL PHENOXIDE AND AMMONIA USING CATALYST BDL CORPORATION 2004-04-27 US disclosed
US-20040034034-A1 Novel piperazine derivatives BLUMBERG LAURA C (US) 2004-02-19 US disclosed
WO-2003035627-A1 PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY PFIZER PRODUCTS INC. (US) 2003-05-01 WO disclosed
US-20030065172-A1 Composition comprising 6-methyl-3,4dihydro-1,2,3-oxathiazin-4-one-2,2-dioxide, its salts, preparation thereof and uses therefor BDL CORPORATION 2003-04-03 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 (4 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-20040092529-A1 Methods of using piperazine derivatives CCR1, CCR3, CCR5 CA2 1511/4885CA1 2079/4885HSD17B10 2053/4885
US-20030065172-A1 Composition comprising 6-methyl-3,4dihydro-1,2,3-oxathiazin-4-one-2,2-dioxide, its salts, preparation thereof and uses therefor PDXK, ITK, KHK CA2 1215/4885CA1 2380/4885HSD17B10 1156/4885
US-20040034034-A1 Novel piperazine derivatives CCR1, CCRL2, CCR5 CA2 2332/4885CA1 3361/4885HSD17B10 2280/4885
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 CA2 1279/4885CA1 798/4885HSD17B10 2848/4885

“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.