SCHEMBL9915413

SCHEMBL9915413

Cc1cc(O)c(O)c[n+]1[O-]

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.35
TRPA1 O75762 1/20 0.33
TSHR P16473 1/20 0.31
SELL P14151 1/20 0.31
SELP P16109 1/20 0.31
SELE P16581 1/20 0.31
ACHE P22303 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL8683495 0.83 ALDH1A1 (0.37) HCAR2TSHRACHEKDM4EALDH1A1
SCHEMBL8251832 0.74 GPR84 (0.30) HCAR2
SCHEMBL9915412 0.74 TRPA1 (0.36) TRPA1SELLSELPSELEACHE
SCHEMBL5763802 0.73 GPR35 (0.46) TSHRKDM4EALDH1A1MAPT
SCHEMBL14124845 0.72 TRPA1 (0.35) TRPA1SELLSELPSELEACHE
SCHEMBL15680568 0.67 ALOX15 (0.33) TRPA1
SCHEMBL5944839 0.65 PDE10A (0.40) TSHRACHEKDM4EALDH1A1MAPT
SCHEMBL6364147 0.65 CYP3A4 (0.33) HCAR2TSHR
SCHEMBL1314444 0.63 CD44 (0.36) HCAR2TSHR
SCHEMBL19554522 0.63 HCAR2 (0.31) HCAR2TSHR

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-20150148326-A1 Monobactams PFIZER (US) 2015-05-28 US disclosed
EP-2646436-B1 MONOBACTAMS PFIZER (US) 2015-05-27 EP disclosed
WO-2014068388-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-05-08 WO disclosed
EP-2703406-A1 NOVEL CEPHEM COMPOUND HAVING CATECHOL OR PSEUDO-CATECHOL STRUCTURE Shionogi & Co., Ltd. (JP) 2014-03-05 EP disclosed
US-20130252935-A1 Monobactams PFIZER INC. (US) 2013-09-26 US disclosed
US-20120302542-A1 MONOBACTAMS PFIZER INC 2012-11-29 US disclosed
WO-2012073138-A1 MONOBACTAMS PFIZER INC. (US) 2012-06-07 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 (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-20130252935-A1 Monobactams MGAM, MGAM2, BPGM HCAR2 615/4885TRPA1 2014/4885TSHR 4478/4885
US-20150148326-A1 Monobactams MGAM, MGAM2, BPGM HCAR2 615/4885TRPA1 2014/4885TSHR 4478/4885
US-20120302542-A1 MONOBACTAMS MGAM, MGAM2, BPGM HCAR2 615/4885TRPA1 2014/4885TSHR 4478/4885

“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.