SCHEMBL6840487

SCHEMBL6840487

CCCC(=O)c1nc(C)cs1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.50
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
NOS1 P29475 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
NPC1 O15118 2/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B3 P37058 1/20 0.36
POLB P06746 3/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 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
SCHEMBL6840495 0.85 HSD17B10 (0.43) PLA2G4AHSD17B10MAPTSMN1; SMN2NOS1
SCHEMBL20429003 0.80 PLA2G4A (0.49) PLA2G4AHSD17B10CYP1A2CYP2C19SMN1; SMN2
SCHEMBL4808785 0.79 HSD17B10 (0.42) PLA2G4AHSD17B10MAPTSMN1; SMN2NOS1
SCHEMBL3702286 0.79 GSK3B (0.44) PLA2G4AHSD17B10MAPTSMN1; SMN2NOS1
Bromide SCHEMBL6171884 0.78 HSD17B10 (0.41) PLA2G4AHSD17B10MAPTSMN1; SMN2NOS1
SCHEMBL15173866 0.78 RAB9A (0.41) PLA2G4AHSD17B10MAPTSMN1; SMN2NPC1
SCHEMBL12101028 0.77 PLA2G4A (0.47) PLA2G4AHSD17B10CYP1A2CYP2C19SMN1; SMN2
SCHEMBL13562705 0.77 PLA2G4A (0.44) PLA2G4AHSD17B10SMN1; SMN2HDAC3HDAC1
SCHEMBL20769319 0.76 HSD17B10 (0.40) PLA2G4AHSD17B10MAPTSMN1; SMN2NOS1
SCHEMBL929714 0.76 GAA (0.44) CYP2C19MAPTSMN1; SMN2NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653141-B2 HIV protease inhibiting compounds ABBVIE INC. (US) 2014-02-18 US disclosed
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
US-8193227-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2012-06-05 US disclosed
US-20110003827-A1 HIV protease inhibiting compounds ABBVIE INC. 2011-01-06 US disclosed
US-4303689-A Flavoring with pyrazine derivatives FIRMENICH SA (CH) 1981-12-01 US disclosed
US-4138410-A Flavoring agent FIRMENICH & CIE (CH) 1979-02-06 US disclosed
US-4126618-A FLAVOR ADDITIVES FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1978-11-21 US disclosed
US-4085109-A Pyridine sulfur flavoring agents FIRMENICH & CIE (CH) 1978-04-18 US disclosed
US-3989713-A Pyrrylmethylthio flavoring agents FIRMENICH & CIE (CH) 1976-11-02 US disclosed
US-3952026-A FLAVOR ADDITIVE FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1976-04-20 US disclosed
US-3952024-A FLAVOR ADDITIVE FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1976-04-20 US disclosed
US-3943260-A TETRAHYDRO-THIO-PHEN-3-ONES FIRMENICH & CIE (CH) 1976-03-09 US disclosed
US-3931245-A FURYLALKYLTHIOL CARBOXYLATES FIRMENICH & CIE (CH) 1976-01-06 US disclosed
US-3931246-A FURYLALKYL-THIOETHERS FIRMENICH & CIE (CH) 1976-01-06 US disclosed
US-3931166-A FLAVORANTS FIRMENICH & CIE (CH) 1976-01-06 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 (2 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-20110003827-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP PLA2G4A 2040/4885HSD17B10 913/4885CYP1A2 2459/4885
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS SERPINB1, HPN, DNPEP PLA2G4A 2040/4885HSD17B10 913/4885CYP1A2 2459/4885

“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.