SCHEMBL16477306

SCHEMBL16477306

CC(C)[C@H]1CC[C@H](C(=O)NCC(F)(F)F)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HCRTR2 O43614 1/20 0.41
KMT2A Q03164 1/20 0.37
JAK1 P23458 6/20 0.37
JAK2 O60674 5/20 0.37
JAK3 P52333 5/20 0.37
PSMB5 P28074 1/20 0.36
TYK2 P29597 1/20 0.36
ACKR3 P25106 1/20 0.35
TBK1 Q9UHD2 1/20 0.34
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL10270138 1.00 HSD17B10 (0.46) HSD17B10SMN1; SMN2ROCK2ROCK1LMNA
SCHEMBL2585149 0.86 SMN1; SMN2 (0.53) HSD17B10SMN1; SMN2KMT2AJAK1JAK2
Hydrochloric Acid SCHEMBL15826105 0.84 SMN1; SMN2 (0.52) HSD17B10SMN1; SMN2KMT2AJAK1JAK2
SCHEMBL17132555 0.83 HSD17B10 (0.50) HSD17B10SMN1; SMN2ROCK2ROCK1LMNA
SCHEMBL10270573 0.83 HSD17B10 (0.50) HSD17B10SMN1; SMN2ROCK2ROCK1LMNA
SCHEMBL16480146 0.81 SMN1; SMN2 (0.50) HSD17B10SMN1; SMN2KMT2AJAK1JAK2
SCHEMBL15200303 0.81 SMN1; SMN2 (0.50) HSD17B10SMN1; SMN2KMT2AJAK1JAK2
SCHEMBL17132547 0.79 LMNA (0.49) HSD17B10SMN1; SMN2ROCK2ROCK1LMNA
SCHEMBL14808770 0.78 SMN1; SMN2 (0.66) HSD17B10SMN1; SMN2KMT2AJAK1JAK2
SCHEMBL18713001 0.78 HSD17B10 (0.44) HSD17B10SMN1; SMN2KMT2AJAK1JAK2

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-9556187-B2 Substituted pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidines and JAK inhibitors comprising the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-01-31 US disclosed
US-9556187-B2 Substituted pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidines and JAK inhibitors comprising the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-01-31 US disclosed
EP-3112370-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS Nissan Chemical Industries, Ltd. (JP) 2017-01-04 EP disclosed
US-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-04-14 US disclosed
US-9216999-B2 Substituted pyrrolo[2,3-h][1,6]naphthyridines and compositions thereof as JAK inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-22 US disclosed
US-20140200344-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-07-17 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 (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-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS JAK2, JAK1, JAK3 HSD17B10 2849/4885SMN1; SMN2 4522/4885ROCK2 1308/4885
US-20140200344-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS JAK2, JAK1, JAK3 HSD17B10 3754/4885SMN1; SMN2 4742/4885ROCK2 1085/4885

“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.