SCHEMBL2934574

SCHEMBL2934574

COCCCOc1cc(C(=O)OC)ccc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NOTUM Q6P988 1/20 0.52
TSHR P16473 1/20 0.48
TTR P02766 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 4/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
REN P00797 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
XDH P47989 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL17129602 0.92 L3MBTL1 (0.57) TDP1L3MBTL1NOTUMTSHRTTR
SCHEMBL3065854 0.90 HDAC6 (0.54) TSHRMAPTKMT2AMEN1PTGER4
SCHEMBL9478194 0.88 L3MBTL1 (0.56) TDP1L3MBTL1NOTUMTSHRTTR
SCHEMBL6507828 0.88 TDP1 (0.52) TDP1L3MBTL1TTRALDH1A1MAPT
SCHEMBL13069056 0.87 TSHR (0.47) TSHRALDH1A1RENKMT2AMEN1
SCHEMBL2936694 0.86 TSHR (0.53) TDP1TSHRTTRALDH1A1CA12
SCHEMBL17991551 0.86 TDP1 (0.54) TDP1L3MBTL1NOTUMTSHRTTR
SCHEMBL26048876 0.86 ALDH1A1 (0.55) TDP1L3MBTL1NOTUMTSHRTTR
SCHEMBL22160224 0.85 ALDH1A1 (0.51) TDP1L3MBTL1TSHRTTRALDH1A1
SCHEMBL17991550 0.85 NOTUM (0.59) TDP1L3MBTL1NOTUMTSHRTTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863477-B1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2010-11-03 EP disclosed
US-7807709-B2 Organic compounds NOVARTIS AG (CH) 2010-10-05 US disclosed
EP-1836163-B1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2010-09-22 EP disclosed
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN BREITENSTEIN WERNER 2010-04-08 US disclosed
WO-2009053277-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2009-04-30 WO disclosed
WO-2009053277-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2009-04-30 WO disclosed
WO-2008107365-A1 NEW COMPOUNDS MEDIVIR AB (SE) 2008-09-12 WO disclosed
WO-2008107365-A1 NEW COMPOUNDS MEDIVIR AB (SE) 2008-09-12 WO disclosed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 US disclosed
EP-1863477-A1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION Novartis AG (CH) 2007-12-12 EP disclosed
EP-1836163-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN Novartis AG (CH) 2007-09-26 EP disclosed
WO-2006100036-A1 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2006-09-28 WO disclosed
WO-2006066896-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2006-06-29 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 (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-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN REN, ACE, PEPD TDP1 2032/4885L3MBTL1 4239/4885NOTUM 1000/4885
US-20080194549-A1 Organic Compounds REN, ACE, OTC TDP1 1106/4885L3MBTL1 4426/4885NOTUM 1098/4885

“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.