SCHEMBL13554366

SCHEMBL13554366

CCC(=O)Sc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 4/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HSD17B10 Q99714 1/20 0.38
TERT O14746 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL7514358 0.81 HPGD (0.59) RAB9AMAPTHPGDMEN1KMT2A
SCHEMBL14599299 0.81 HSD17B3 (0.42) NPC1RAB9AMAPTHPGDMEN1
SCHEMBL10589174 0.79 CES2 (0.44) MAPTHPGDMEN1KMT2ACYP1A2
SCHEMBL2348882 0.78 FFAR1 (0.45) MAPTHPGDKDM4EHSD17B10CES2
SCHEMBL6047522 0.78 HTT (0.51) MAPTMEN1KMT2ACYP1A2ALDH1A1
SCHEMBL10452374 0.77 MAPT (0.46) NPC1RAB9AMAPTHPGDMEN1
SCHEMBL11447835 0.76 ALDH1A1 (0.51) NPC1RAB9AMAPTHPGDCYP1A2
SCHEMBL15694511 0.76 CES2 (0.42) NPC1MAPTHPGDMEN1KMT2A
SCHEMBL2464069 0.75 MAPT (0.37) MAPTHPGDHSD17B10ALDH1A1
SCHEMBL19387701 0.73 RIPK1 (0.47) HTR7MAPTHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-25 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-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN TTR, TTPA, APOB HTR7 4568/4885NPC1 1458/4885RAB9A 3430/4885

“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.