SCHEMBL4677465

SCHEMBL4677465

Cc1noc(-c2ccccc2)c1C(C)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LPAR1 Q92633 2/20 0.46
LPAR3 Q9UBY5 1/20 0.46
GAA P10253 1/20 0.45
BRD4 O60885 6/20 0.44
BRD2 P25440 2/20 0.44
CREBBP Q92793 3/20 0.44
TDO2 P48775 1/20 0.42
KDM4E B2RXH2 2/20 0.41
PTPN1 P18031 1/20 0.40
RECQL P46063 1/20 0.40
PTGS1 P23219 1/20 0.39
TRPA1 O75762 1/20 0.39
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL4762474 0.86 GAA (0.47) ALDH1A1MAPTSMN1; SMN2LPAR1LPAR3
SCHEMBL18597743 0.83 ALDH1A1 (0.38) ALDH1A1MAPTSMN1; SMN2LPAR1LPAR3
SCHEMBL27743830 0.83 GAA (0.45) ALDH1A1MAPTSMN1; SMN2LPAR1LPAR3
SCHEMBL3984436 0.83 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2LPAR1LPAR3
SCHEMBL11996614 0.80 GAA (0.42) ALDH1A1MAPTSMN1; SMN2LPAR1LPAR3
SCHEMBL18597715 0.76 LPAR1 (0.58) ALDH1A1MAPTSMN1; SMN2LPAR1LPAR3
SCHEMBL12091 0.76 TSHR (0.41) ALDH1A1MAPTSMN1; SMN2LPAR1LPAR3
SCHEMBL4263239 0.75 LPAR1 (0.41) ALDH1A1MAPTSMN1; SMN2LPAR1LPAR3
SCHEMBL22496064 0.75 PREP (0.41) LPAR1LPAR3BRD4BRD2CREBBP
SCHEMBL8376510 0.74 PTPN1 (0.41) ALDH1A1MAPTSMN1; SMN2LPAR1LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218369-B1 INHIBITORS OF c-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2008-07-23 EP disclosed
US-7169798-B2 Inhibitors of c-Jun N terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-01-30 US disclosed
US-7169798-B2 Inhibitors of c-Jun N terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-01-30 US disclosed
US-7169798-B2 Inhibitors of c-Jun N terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-01-30 US disclosed
EP-1218369-A4 INHIBITORS OF c-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2005-06-22 EP disclosed
US-20050026967-A1 Inhibitors of c-jun N terminal kinases (JNK) and other protein kinases GREEN JEREMY (US) 2005-02-03 US disclosed
US-6693108-B2 PYRIMIDINYL-GUANIDINE DERIVATIVES VERTEX PHARMACEUTICALS INCORPORATED 2004-02-17 US disclosed
US-20030149051-A1 Inhibitors of c-Jun N terminal kinases (JNK) and other protein kinases VERTX PHARMACEUTICALS INCORPORATED 2003-08-07 US disclosed
EP-1218369-A1 INHIBITORS OF c-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-07-03 EP disclosed
WO-2001012621-A1 INHIBITORS OF c-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-02-22 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-20030149051-A1 Inhibitors of c-Jun N terminal kinases (JNK) and other protein kinases MAPK1, PACSIN2, MAP3K1 ALDH1A1 4574/4885MAPT 2674/4885SMN1; SMN2 2930/4885
US-20050026967-A1 Inhibitors of c-jun N terminal kinases (JNK) and other protein kinases MAP3K2, CSNK1G2, MAP3K5 ALDH1A1 4608/4885MAPT 2842/4885SMN1; SMN2 2846/4885

“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.