SCHEMBL6506099

SCHEMBL6506099

C[C@H](NC1=NC(=O)C(CNC(=O)c2ccccc2F)S1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.40
RAB9A P51151 2/20 0.37
MAPT P10636 1/20 0.37
NPC1 O15118 1/20 0.37
DPP4 P27487 1/20 0.36
OPRM1 P35372 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
POLB P06746 1/20 0.35
BCL3 P20749 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
GAA P10253 1/20 0.35
CTSS P25774 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
SCHEMBL6394233 0.87 NPC1 (0.42) RPS6KB1RAB9ANPC1OPRM1KMT2A
SCHEMBL6505267 0.76 ATM (0.41) RAB9AMAPTNPC1ATMBCL3
SCHEMBL6389539 0.74 DAPK3 (0.40) RPS6KB1ALDH1A1
SCHEMBL6387711 0.74 DAPK3 (0.40) RPS6KB1ALDH1A1
SCHEMBL6425973 0.74 KMT2A (0.48) RAB9AMAPTNPC1KMT2AATM
SCHEMBL6506450 0.72 CHRM1 (0.41) RAB9ANPC1ATM
SCHEMBL6428643 0.70 NPC1 (0.45) RAB9ANPC1POLBGAA
SCHEMBL6389744 0.70 TSHR (0.44) RPS6KB1RAB9ANPC1KMT2APOLB
SCHEMBL6386456 0.70 TSHR (0.44) RPS6KB1RAB9ANPC1KMT2APOLB
SCHEMBL6508183 0.70 ALDH1A1 (0.50) MAPTDPP4KMT2APOLBALDH1A1

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-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US 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 RPS6KB1 635/4885RAB9A 2649/4885MAPT 3607/4885

“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.