SCHEMBL1312841

SCHEMBL1312841

CC(C)[C@H](NC(=O)C(F)(F)F)c1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.42
TRPA1 O75762 3/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
MLYCD O95822 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC7 Q8WUI4 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
HSD17B2 P37059 1/20 0.38
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37

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
SCHEMBL1312843 1.00 NR3C1 (0.42) NR3C1TRPA1CTSLCTSBCTSS
SCHEMBL24181463 0.86 CTSL (0.40) NR3C1CTSLCTSBCTSSCTSK
SCHEMBL21562629 0.86 CTSL (0.40) NR3C1CTSLCTSBCTSSCTSK
SCHEMBL3706146 0.85 CNR1 (0.45) NR3C1CTSLCTSBCTSSCTSK
SCHEMBL1313209 0.80 ACACB (0.42) HDAC1KMT2AKEAP1NFE2L2PDE2A
SCHEMBL1313207 0.80 ACACB (0.42) HDAC1KMT2AKEAP1NFE2L2PDE2A
SCHEMBL12117857 0.77 KEAP1 (0.39) HDAC1KMT2AKEAP1NFE2L2PDE2A
SCHEMBL20446264 0.77 RIPK1 (0.43) NR3C1CTSLCTSBCTSSCTSK
SCHEMBL20446262 0.77 RIPK1 (0.43) NR3C1CTSLCTSBCTSSCTSK
SCHEMBL5785443 0.69 HDAC1 (0.69) HDAC1HDAC6MLYCDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 US 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-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 SPHK1, SPHK2, S1PR1 NR3C1 1467/4885TRPA1 2372/4885CTSL 2072/4885

“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.