SCHEMBL14215510

SCHEMBL14215510

Cc1nc(CC(=O)O)c(Br)s1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
GABRR1 P24046 1/20 0.38
KDM4E B2RXH2 4/20 0.36
AGBL2 Q5U5Z8 2/20 0.35
GPR35 Q9HC97 1/20 0.34
POLB P06746 2/20 0.34
NOTUM Q6P988 1/20 0.34
GAA P10253 2/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL855931 0.80 SLC6A3 (0.41) PTGDR2MEN1KMT2AMAPTLMNA
SCHEMBL25430779 0.79 SMN1; SMN2 (0.42) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL14215474 0.77 ALDH1A1 (0.40) PTGDR2MEN1KMT2AMAPTLMNA
SCHEMBL11922677 0.77 PTGDR2 (0.40) PTGDR2MEN1KMT2AMAPTLMNA
SCHEMBL5539852 0.77 PTGDR2 (0.46) PTGDR2MEN1KMT2AMAPTLMNA
SCHEMBL11564617 0.77 CYP1A2 (0.46) PTGDR2MEN1KMT2AMAPTKDM4E
SCHEMBL5517237 0.77 PTGDR2 (0.36) PTGDR2MAPTGABRR1KDM4EPOLB
SCHEMBL18002772 0.75
SCHEMBL4093001 0.74 GABRR1 (0.39) PTGDR2MEN1KMT2AMAPTGABRR1
SCHEMBL11923125 0.73 PTGDR2 (0.37) PTGDR2MEN1KMT2AMAPTLMNA

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
CN-101137653-B Thiazole-4-carboxamide derivatives as MGLUR5 antagonists HOFFMANN LA ROCHE 2012-05-09 CN disclosed
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative SHIONOGI & CO. LTD. (JP) 2008-05-01 US disclosed
CN-101137653-A Thiazole-4-carboxamide derivatives as MGLUR5 antagonists HOFFMANN LA ROCHE (CH) 2008-03-05 CN 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-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 PTGDR2 216/4885MEN1 3984/4885KMT2A 2206/4885

“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.