SCHEMBL15701045

SCHEMBL15701045

C[C@H](C(=O)Nc1ccc(NC(=O)c2cscn2)nc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 6/20 0.52
CYP2C8 P10632 4/20 0.51
CYP2D6 P10635 3/20 0.44
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
NCOR2 Q9Y618 2/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 2/20 0.43
RAB9A P51151 2/20 0.43
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
KIT P10721 1/20 0.43
KDR P35968 1/20 0.43
MAPK14 Q16539 1/20 0.43

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
SCHEMBL15701081 1.00 CYP2C9 (0.52) CYP2C9CYP2C8CYP2D6HDAC3HDAC1
SCHEMBL19446803 0.89 CYP2C9 (0.52) CYP2C9CYP2C8CYP2D6HDAC3HDAC1
SCHEMBL15701130 0.86 CYP2C9 (0.45) CYP2C9CYP2C8CYP2D6HDAC3HDAC1
SCHEMBL7075380 0.86 CYP2C9 (0.49) CYP2C9CYP2C8CYP2D6NPC1ALDH1A1
SCHEMBL15701054 0.81 NPC1 (0.48) HDAC3HDAC1HDAC2NCOR2NPC1
SCHEMBL15701233 0.81 NPC1 (0.48) HDAC3HDAC1HDAC2NCOR2NPC1
SCHEMBL15701037 0.81 NPC1 (0.48) HDAC3HDAC1HDAC2NCOR2NPC1
SCHEMBL15701244 0.81 CYP2C9 (0.49) CYP2C9CYP2C8NPC1RAB9ASMN1; SMN2
SCHEMBL7079247 0.81 CYP2C9 (0.43) CYP2C9CYP2C8CYP2D6NPC1ALDH1A1
SCHEMBL15707324 0.81 CYP2C9 (0.53) CYP2C9CYP2C8CYP2D6TP53PSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2914592-B1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INT (DE) 2017-10-11 EP disclosed
US-9334249-B2 Inhibitors of cytomegalovirus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-10 US disclosed
US-20150284348-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-08 US disclosed
WO-2014070979-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-08 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 (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-20150284348-A1 INHIBITORS OF CYTOMEGALOVIRUS CDKN1A, CCNA1, IFNAR1 CYP2C9 2373/4885CYP2C8 2028/4885CYP2D6 3355/4885

“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.