SCHEMBL6527550

SCHEMBL6527550

CCCCCCCCCCCCCCCCSCC(Nc1ccc(F)cn1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.38
DEGS1 O15121 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
RAB9A P51151 1/20 0.36
ICMT O60725 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
KDM6B O15054 1/20 0.35
KDM4A O75164 1/20 0.35
KDM4D Q6B0I6 1/20 0.35
KDM3B Q7LBC6 1/20 0.35
HIF1AN Q9NWT6 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
PLA2G4B P0C869 2/20 0.35
ACE P12821 1/20 0.35
GMNN O75496 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 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
SCHEMBL6521996 0.87 KDM4E (0.41) HCAR3DEGS1HCAR2RAB9AICMT
SCHEMBL12793317 0.86 ITGB1 (0.48) HCAR3RAB9ASMN1; SMN2ITGB1ITGA4
SCHEMBL6524196 0.83 ICMT (0.35) ICMTITGB1ITGA4PLA2G4BGMNN
SCHEMBL6521346 0.81 ALOX12 (0.47) RAB9ASMN1; SMN2POLBNPC1
SCHEMBL6518242 0.77 ICMT (0.38) ICMTITGB1ITGA4KDM6BKDM4A
SCHEMBL6522607 0.77 KDM4E (0.46) RAB9ASMN1; SMN2ITGB1ITGA4TP53
SCHEMBL6521511 0.77 GMNN (0.39) ICMTKDM6BKDM4AKDM4DKDM3B
SCHEMBL6524114 0.76 RAB9A (0.41) RAB9AICMTSMN1; SMN2TP53MAPT
SCHEMBL6520453 0.76 GMNN (0.40) ICMTKDM6BKDM4AKDM4DKDM3B
SCHEMBL3429743 0.74 FAAH (0.39) ICMTKDM6BKDM4AKDM4DKDM3B

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
US-20110053901-A1 ACETYL MIMIC COMPOUNDS FOR THE INHIBITION OF ISOPRENYL-S-CYSTEINYL METHYLTRANSFERASE SIGNUM BIOSCIENCES, INC. (US) 2011-03-03 US disclosed
US-20110053901-A1 ACETYL MIMIC COMPOUNDS FOR THE INHIBITION OF ISOPRENYL-S-CYSTEINYL METHYLTRANSFERASE SIGNUM BIOSCIENCES, INC. (US) 2011-03-03 US disclosed
US-20110053901-A1 ACETYL MIMIC COMPOUNDS FOR THE INHIBITION OF ISOPRENYL-S-CYSTEINYL METHYLTRANSFERASE SIGNUM BIOSCIENCES, INC. (US) 2011-03-03 US disclosed
WO-2009102997-A2 ACETYL MIMIC COMPOUNDS FOR THE INHIBITION OF ISOPRENYL-S-CYSTEINYL METHYLTRANSFERASE SIGNUM BIOSCIENCES, INC. (US) 2009-08-20 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-20110053901-A1 ACETYL MIMIC COMPOUNDS FOR THE INHIBITION OF ISOPRENYL-S-CYSTEINYL METHYLTRANSFERASE MPO, CYSLTR1, HNMT HCAR3 991/4885DEGS1 2928/4885HCAR2 870/4885

“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.