SCHEMBL1465612

SCHEMBL1465612

O=Cc1ccc(Cl)cc1S(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF18A Q8NI77 1/20 0.51
TDP1 Q9NUW8 1/20 0.47
CNR2 P34972 1/20 0.46
HTR6 P50406 5/20 0.43
HTR1A P08908 1/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
THRB P10828 1/20 0.41
ERN1 O75460 1/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
CYP3A4 P08684 2/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
FBP1 P09467 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
SCHEMBL2269853 0.79 ALDH1A1 (0.52) KIF18ATDP1CNR2TSHRHTT
SCHEMBL228959 0.79 KIF18A (0.57) KIF18ACNR2HTR6TSHRPOLB
SCHEMBL227808 0.79 KIF18A (0.57) KIF18ACNR2HTR6POLBGAA
SCHEMBL16494906 0.79 NFE2L2 (0.49) KIF18ACNR2HTR6TSHRHTT
SCHEMBL709683 0.78 TSHR (0.62) TDP1HTR6TSHRHTTTHRB
SCHEMBL123754 0.76 RAD51 (0.48) HTR6TSHRHTTPOLBGAA
SCHEMBL16495014 0.76 HSD11B1 (0.44) CNR2HTR6TSHRHTTMAPT
SCHEMBL13309929 0.76 KIF18A (0.58) KIF18ACNR2HTR6TSHRCYP3A4
SCHEMBL11212056 0.76 HTR6 (0.61) KIF18ACNR2HTR6POLBGAA
SCHEMBL2462163 0.75 KIF18A (0.61) KIF18ACNR2HTR6POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130225617-A1 INDOLES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2013-08-29 US disclosed
US-8394836-B2 Indoles and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2013-03-12 US disclosed
EP-2327693-A1 Indoles and their therapeutic use Pulmagen Therapeutics (Asthma) Limited (GB) 2011-06-01 EP disclosed
US-20110071175-A1 Indoles and Their Therapeutic Use GB005, INC. 2011-03-24 US disclosed
CN-101970405-A Indoles and their therapeutic use PULMAGEN THERAPEUTICS ASTHMA L 2011-02-09 CN disclosed
EP-2229358-A1 INDOLES AND THEIR THERAPEUTIC USE Pulmagen Therapeutics (Asthma) Limited (GB) 2010-09-22 EP disclosed
WO-2009077728-A1 INDOLES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2009-06-25 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 (2 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-20130225617-A1 INDOLES AND THEIR THERAPEUTIC USE IDO2, IDO1, RORB KIF18A 4588/4885TDP1 4427/4885CNR2 11/4885
US-20110071175-A1 Indoles and Their Therapeutic Use FPR3, HRH2, HRH4 KIF18A 4673/4885TDP1 4839/4885CNR2 11/4885

“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.