SCHEMBL3070134

SCHEMBL3070134

COc1ccc(C2CCN(C(=O)O)CC2OCCOS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 4/20 0.40
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 3/20 0.39
FKBP1A P62942 1/20 0.38
PKM P14618 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37

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
SCHEMBL3073844 0.88 AR (0.42) LMNAMAPTALDH1A1SMN1; SMN2MMP1
SCHEMBL3418645 0.88 STS (0.48) LMNAALDH1A1GAAUSP2TSHR
SCHEMBL3415525 0.88 GAA (0.37) LMNAMAPTALDH1A1GAAKMT2A
SCHEMBL3082328 0.84 REN (0.44)
SCHEMBL3078335 0.84 RAB9A (0.36) LMNAALDH1A1USP2KMT2ASMN1; SMN2
SCHEMBL3071847 0.83 PPARG (0.37) LMNAMAPTALDH1A1GAATSHR
SCHEMBL6043165 0.82 REN (0.46) LMNAALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL3065405 0.82 KMT2A (0.45) LMNAMAPTALDH1A1GAAKMT2A
SCHEMBL3069390 0.80 REN (0.42)
SCHEMBL3079394 0.79 REN (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 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 (2 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-20090012055-A1 Organic compounds REN, ACE, ACE2 LMNA 3190/4885MAPT 2397/4885ALDH1A1 142/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 LMNA 3190/4885MAPT 2397/4885ALDH1A1 142/4885

“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.