SCHEMBL19902474

SCHEMBL19902474

CS(=O)(=O)c1cc(F)cc2cc(C(=O)N[C@H]3CC[C@H](c4n[nH]c(=O)c5ccccc54)CC3)[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 14/20 0.43
ROCK2 O75116 1/20 0.39
MLLT1 Q03111 1/20 0.39
SMYD3 Q9H7B4 2/20 0.38
NSD2 O96028 1/20 0.36
SETD2 Q9BYW2 1/20 0.36
MAPK8 P45983 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 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
SCHEMBL17452914 0.90 ROCK2 (0.51) PLA2G7ROCK2MLLT1SETD2
SCHEMBL19902488 0.83 SMYD3 (0.46) PLA2G7ROCK2SMYD3NSD2SETD2
SCHEMBL19902564 0.82 SMYD3 (0.44) PLA2G7ROCK2MLLT1SMYD3NSD2
SCHEMBL19902413 0.81 SMYD3 (0.61) PLA2G7ROCK2SMYD3NSD2SETD2
SCHEMBL19902625 0.81 MLLT1 (0.49) ROCK2MLLT1SMYD3MAPK8MEN1
SCHEMBL19902699 0.80 PLA2G7 (0.53) PLA2G7ROCK2SMYD3NSD2SETD2
SCHEMBL19902458 0.79 SCN4A (0.48) ROCK2MLLT1SMYD3MAPK8MEN1
SCHEMBL19902711 0.79 PYGL (0.48) PLA2G7ROCK2SMYD3NSD2SETD2
SCHEMBL19902463 0.79 SLC2A1 (0.46) PLA2G7ROCK2SMYD3NSD2SETD2
SCHEMBL19902581 0.79 SMYD3 (0.46) PLA2G7ROCK2SMYD3NSD2SETD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2018-06-07 US disclosed
US-9902702-B2 Spirocycloheptanes as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 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-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 PLA2G7 920/4885ROCK2 3/4885MLLT1 2675/4885

“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.