SCHEMBL1018488

SCHEMBL1018488

CC1(C)COc2cc(C(=O)Cl)ccc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.45
RARG P13631 6/20 0.45
RARA P10276 4/20 0.45
PTGS1 P23219 5/20 0.44
PTGS2 P35354 5/20 0.44
RXRA P19793 2/20 0.41
CNR2 P34972 2/20 0.40
ALOX5 P09917 3/20 0.38
TRPM8 Q7Z2W7 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
NOTUM Q6P988 1/20 0.35

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
SCHEMBL11212966 0.87 RARB (0.58) RARBRARGRARAPTGS1PTGS2
SCHEMBL1021435 0.85 RARB (0.56) RARBRARGRARAPTGS1PTGS2
SCHEMBL28157952 0.84 TSHR (0.51) RARBRARGRARAPTGS1PTGS2
SCHEMBL17664673 0.81 CNR2 (0.44) RARBRARGRARAPTGS1PTGS2
SCHEMBL1018779 0.81 RARB (0.58) RARBRARGRARAPTGS1PTGS2
SCHEMBL17660256 0.78 PDK2 (0.44) RARBRARGRARAPTGS1PTGS2
SCHEMBL18691103 0.77 RARB (0.43) RARBRARGRARAPTGS1PTGS2
SCHEMBL8662772 0.75 ALDH1A1 (0.35) RARBRARGRARARXRACNR2
SCHEMBL16427337 0.74 MAP3K14 (0.47) RARBRARGRARAPTGS1PTGS2
SCHEMBL281668 0.74 TMEM97 (0.44) RARBRARGRARAPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921358-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-30 US disclosed
US-20130203731-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2013-08-08 US disclosed
US-8461163-B2 Substituted N-(pyrazolo[1,5-a]pyrimidin-5-yl)amides as inhibitors of apoptosis signal-regulating kinase 1 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-20110077235-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-31 US disclosed
EP-2271646-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-01-12 EP disclosed
WO-2009123986-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 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-20130203731-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD RARB 3550/4885RARG 3939/4885RARA 3999/4885
US-20110077235-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD RARB 3570/4885RARG 4013/4885RARA 4016/4885

“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.