SCHEMBL5673306

SCHEMBL5673306

O=c1cc(COC2CCCCC2)[nH]c(=S)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
LPO P22079 2/20 0.45
CYP2C19 P33261 2/20 0.45
TAS2R38 P59533 2/20 0.45
MPO P05164 1/20 0.45
TPO P07202 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 4/20 0.39
CYB5R3 P00387 3/20 0.39
CYP3A4 P08684 1/20 0.39
PTGS1 P23219 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
ALOX15 P16050 1/20 0.35
MMP9 P14780 2/20 0.33
MMP12 P39900 2/20 0.33
MMP1 P03956 1/20 0.33
KDM4C Q9H3R0 1/20 0.33

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
SCHEMBL21331825 0.76 DAO (0.49) MAPTLPOCYP2C19TAS2R38MPO
SCHEMBL23160962 0.65 LPO (0.71) MAPTLPOCYP2C19TAS2R38MPO
SCHEMBL5672175 0.65 PKM (0.62) MAPTTSHRKMT2AALDH1A1GPR84
SCHEMBL13364681 0.65 YTHDC1 (0.33) SMN1; SMN2ALDH1A1ALOX15MMP9MMP12
SCHEMBL4965535 0.65 GRM5 (0.43)
Propylthiouracil SCHEMBL5493716 0.63 LPO (1.00) MAPTLPOCYP2C19TAS2R38MPO
SCHEMBL5804244 0.62 KDM4E (0.35) KMT2AMMP9MMP12HPGDMMP2
SCHEMBL31329408 0.62 GRM5 (0.35) KMT2AHPGD
SCHEMBL4962479 0.61 CARM1 (0.48)
SCHEMBL22640186 0.60 MAPT (0.60) MAPTLPOCYP2C19TAS2R38MPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037916-B2 Pyrimidine derivatives as IL-8 receptor antagonists PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2006-05-02 US disclosed
WO-2004062609-A2 PYRIMIDINE DERIVATIVES AS IL-8 RECEPTOR ANTAGONISTS PHARMACOPEIA, INC. (US) 2004-07-29 WO disclosed
US-20040087601-A1 Pyrimidine derivatives as IL-8 receptor antagonists PHARMACOPEIA, LLC 2004-05-06 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 (1 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-20040087601-A1 Pyrimidine derivatives as IL-8 receptor antagonists CXCL8, IL1RN, IL18 MAPT 4048/4885LPO 3756/4885CYP2C19 967/4885

“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.