SCHEMBL3540950

SCHEMBL3540950

CCOc1cc(C(=O)O)c(F)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
HSD17B10 Q99714 3/20 0.53
NPC1 O15118 1/20 0.47
USP2 O75604 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CREBBP Q92793 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 2/20 0.45
CYP3A4 P08684 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
WDR5 P61964 1/20 0.41

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
SCHEMBL2884928 0.86 TSHR (0.59) TSHRHSD17B10NPC1USP2RAB9A
SCHEMBL11777279 0.85 TSHR (0.62) TSHRHSD17B10NPC1USP2RAB9A
SCHEMBL26814501 0.84 KDM4E (0.49) TSHRHSD17B10NPC1USP2RAB9A
SCHEMBL1163576 0.81 ALDH1A1 (0.50) RAB9AL3MBTL1GAAKDM4EALDH1A1
SCHEMBL29811842 0.81 ALDH1A1 (0.50) RAB9AL3MBTL1GAAKDM4EALDH1A1
SCHEMBL22987079 0.81 TSHR (0.53) TSHRHSD17B10NPC1USP2RAB9A
SCHEMBL15878229 0.81 TSHR (0.53) TSHRHSD17B10CREBBPL3MBTL1GAA
SCHEMBL10801182 0.80 TSHR (0.64) TSHRHSD17B10NPC1USP2RAB9A
SCHEMBL2833340 0.79 TSHR (0.55) TSHRHSD17B10L3MBTL1GAACYP3A4
SCHEMBL26031210 0.79 TSHR (0.51) TSHRHSD17B10L3MBTL1GAACYP3A4

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-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 TSHR 4347/4885HSD17B10 157/4885NPC1 13/4885

“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.