SCHEMBL56960

SCHEMBL56960

COc1cc(C(=O)O)cc(O)c1C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.72
TPMT P51580 6/20 0.68
CA12 O43570 3/20 0.66
CA1 P00915 3/20 0.66
CA2 P00918 3/20 0.66
CA4 P22748 3/20 0.66
CA6 P23280 3/20 0.66
CA7 P43166 3/20 0.66
CA9 Q16790 3/20 0.66
CA14 Q9ULX7 3/20 0.66
CA3 P07451 2/20 0.66
CA5A P35218 2/20 0.66
CA5B Q9Y2D0 2/20 0.66
PKM P14618 1/20 0.66
HTT P42858 1/20 0.59
CNR2 P34972 1/20 0.54
POLB P06746 1/20 0.49
POLA1 P09884 1/20 0.49
ANTXR2 P58335 1/20 0.49
LMNA P02545 2/20 0.48

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
SCHEMBL668540 0.88 CA12 (0.69) PTGS2TPMTCA12CA1CA2
SCHEMBL30615314 0.84 PTGS2 (1.00) PTGS2TPMTCA12CA1CA2
SCHEMBL975675 0.84 PTGS2 (1.00) PTGS2TPMTCA12CA1CA2
SCHEMBL6066809 0.83 CNR2 (0.62) PTGS2TPMTCA12CA1CA2
SCHEMBL16260620 0.82 CA12 (0.62) PTGS2TPMTCA12CA1CA2
SCHEMBL1919748 0.81 CA12 (0.64) PTGS2TPMTCA12CA1CA2
SCHEMBL503998 0.81 TPMT (1.00) PTGS2TPMTCA12CA1CA2
SCHEMBL30240911 0.81 TPMT (1.00) PTGS2TPMTCA12CA1CA2
Syringic Acid SCHEMBL6072775 0.81 PTGS2 (0.92) PTGS2TPMTCA12CA1CA2
Syringic Acid SCHEMBL27602358 0.79 CA12 (1.00) PTGS2TPMTCA12CA1CA2

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-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
EP-1968940-A1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS Novartis AG (CH) 2008-09-17 EP disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 PTGS2 252/4885TPMT 877/4885CA12 2906/4885

“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.