SCHEMBL2938384

SCHEMBL2938384

CC(C)Oc1cccc(CNC(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
MMP13 P45452 1/20 0.51
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
FFAR1 O14842 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
APEX1 P27695 1/20 0.48
KDM4E B2RXH2 1/20 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
SCHEMBL933482 0.85 ALDH1A1 (0.56) NPC1RAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL2570185 0.84 RXRA (0.62) NPC1RAB9AMEN1KMT2A
SCHEMBL2931410 0.84 MMP13 (0.70) RAB9AALDH1A1SMN1; SMN2HTTMMP13
SCHEMBL28168886 0.84 MAPT (0.53) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
Isobutane SCHEMBL12492141 0.81 ALDH1A1 (0.59) RAB9AALDH1A1SMN1; SMN2HTTMMP13
SCHEMBL28275386 0.81 MAPK1 (0.52) ALDH1A1SMN1; SMN2HTTMMP13ROCK2
SCHEMBL21049912 0.81 MMP13 (0.46) RAB9AALDH1A1SMN1; SMN2HTTMMP13
SCHEMBL255100 0.80 DHFR (0.49) NPC1RAB9AALDH1A1SMN1; SMN2ROCK2
SCHEMBL8059189 0.79 CYP1A2 (0.68) ALDH1A1SMN1; SMN2MMP13CYP1A2CYP2D6
SCHEMBL5743613 0.79 FFAR4 (0.51) ALDH1A1SMN1; SMN2CYP1A2CYP2C19FFAR1

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
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
CN-101115715-A Pyrrolidine derivatives for the treatment of diseases associated with renin activity NOVARTIS AG (CH) 2008-01-30 CN 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-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 (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-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN REN, ACE, PEPD NPC1 4017/4885RAB9A 287/4885ALDH1A1 494/4885

“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.