SCHEMBL6388703

SCHEMBL6388703

O=C(NCCC1SC(NC2CCCCCCC2)=NC1=O)c1c(F)cccc1F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ATM Q13315 1/20 0.37
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
HIF1A Q16665 1/20 0.35
POLB P06746 1/20 0.35
ACKR3 P25106 1/20 0.35
KMT2A Q03164 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL6392368 1.00 CCNA2 (0.41) CCNA2CDK2CDK1CCNB1SMN1; SMN2
SCHEMBL6390900 1.00 CCNA2 (0.41) CCNA2CDK2CDK1CCNB1SMN1; SMN2
SCHEMBL6388874 0.93 SMN1; SMN2 (0.44) CCNA2CDK2CDK1CCNB1SMN1; SMN2
SCHEMBL6387573 0.93 SMN1; SMN2 (0.44) CCNA2CDK2CDK1CCNB1SMN1; SMN2
SCHEMBL6504984 0.93 SMN1; SMN2 (0.44) CCNA2CDK2CDK1CCNB1SMN1; SMN2
SCHEMBL6505267 0.89 ATM (0.41) SMN1; SMN2NPC1RAB9AATMALDH1A1
SCHEMBL6509241 0.86 KMT2A (0.36) CCNA2CDK2CDK1CCNB1SMN1; SMN2
SCHEMBL6501631 0.85 POLB (0.51) NPC1RAB9AALDH1A1L3MBTL1POLB
SCHEMBL6386637 0.85 POLB (0.51) NPC1RAB9AALDH1A1L3MBTL1POLB
SCHEMBL6390194 0.83 NPC1 (0.45) SMN1; SMN2NPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
WO-2005075471-A2 THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BIOVITRUM AB (SE) 2005-08-18 WO claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 CCNA2 1570/4885CDK2 1194/4885CDK1 492/4885

“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.