SCHEMBL4625535

SCHEMBL4625535

CCOC(=O)c1ccc(CC(C)(C)C)c(Br)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
HTT P42858 1/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 3/20 0.37
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL4627307 0.87 TSHR (0.47) TSHRALDH1A1SMN1; SMN2HSD17B10LMNA
SCHEMBL4625659 0.86 TSHR (0.44) TSHRCA12CA1CA2CA7
SCHEMBL4627299 0.85 TSHR (0.42) TSHRCA12CA1CA2CA7
SCHEMBL4626876 0.84 TSHR (0.41) TSHRCA12CA1CA2CA7
SCHEMBL4628491 0.84 TSHR (0.41) TSHRCA12CA1CA2CA7
SCHEMBL4628607 0.84 TSHR (0.41) TSHRCA12CA1CA2CA7
SCHEMBL6908945 0.82 TSHR (0.42) TSHRCA12CA1CA2CA7
SCHEMBL4627170 0.81 ALDH1A1 (0.45) TSHRCA12CA1CA2CA7
SCHEMBL4627378 0.81 TSHR (0.41) TSHRCA12CA1CA2CA7
SCHEMBL4627306 0.81 TSHR (0.41) TSHRCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312322-A1 Organic Compounds NOVARTIS AG (CH) 2008-12-18 US claimed
EP-1888505-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2008-02-20 EP claimed
WO-2006125593-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-11-30 WO claimed
US-20080312322-A1 Organic Compounds NOVARTIS AG (CH) 2008-12-18 US disclosed
EP-1888505-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2008-02-20 EP disclosed
WO-2006125593-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-11-30 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-20080312322-A1 Organic Compounds NR3C2, MRGPRX2, HRH2 TSHR 374/4885CA12 2114/4885CA1 3573/4885

“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.