SCHEMBL2362201

SCHEMBL2362201

COc1c(C(C)(C)C)cc(Br)c(C(=O)O)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.43
GLRB P48167 1/20 0.43
HSD17B10 Q99714 2/20 0.42
PTPN1 P18031 2/20 0.42
TPMT P51580 1/20 0.41
TNFRSF1A P19438 2/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
HPGD P15428 1/20 0.38
GPR35 Q9HC97 1/20 0.37
FABP4 P15090 1/20 0.36
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6825228 0.81 HSD17B10 (0.53) HSD17B10PTPN1TPMTALDH1A1KDM4E
SCHEMBL4126173 0.79 GLRA3 (0.57) GLRA3GLRBHSD17B10TPMTTNFRSF1A
SCHEMBL2362486 0.78 GLRA3 (0.61) GLRA3GLRBHSD17B10TNFRSF1AALDH1A1
SCHEMBL15260493 0.78 PTPN1 (0.57) HSD17B10PTPN1TPMTALDH1A1KDM4E
SCHEMBL12678887 0.76 CA2 (0.46) HSD17B10TPMTALDH1A1KDM4EHPGD
SCHEMBL17378796 0.75 HSD17B10 (0.44) GLRA3GLRBHSD17B10PTPN1TPMT
SCHEMBL28522918 0.74 CA2 (0.43) TNFRSF1AALDH1A1KDM4EHPGDCA2
SCHEMBL13548208 0.74 ALDH1A1 (0.42) TNFRSF1AALDH1A1HPGDCA2CA4
SCHEMBL4727300 0.72 TDP1 (0.44) HSD17B10PTPN1TPMTTNFRSF1AALDH1A1
SCHEMBL22208925 0.72 HSD17B10 (0.41) HSD17B10TPMTALDH1A1KDM4ELCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232271-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-07-31 US disclosed
EP-2350007-A1 HETEROCYCLIC ANTIVIRAL ARYLPYRIDONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-08-03 EP disclosed
US-20100111900-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC 2010-05-06 US disclosed
WO-2010049331-A1 HETEROCYCLIC ANTIVIRAL ARYLPYRIDONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-05-06 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 (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-20100111900-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, EIF2AK2, POLR2B GLRA3 2459/4885GLRB 1601/4885HSD17B10 1264/4885

“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.