SCHEMBL6450854

SCHEMBL6450854

CON(Cc1ccc(F)cc1Cl)C(=O)/C=C1/OC(C)(C)OC1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
MAPT P10636 4/20 0.34
P2RX7 Q99572 5/20 0.33
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALOX15 P16050 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGER3 P43115 1/20 0.33
POLB P06746 2/20 0.32
KMT2A Q03164 2/20 0.32
TP53 P04637 1/20 0.32
NR1H2 P55055 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL6078106 1.00 SLC6A2 (0.34) SLC6A2SLC6A4MAPTP2RX7ALDH1A1
SCHEMBL6078045 0.90 RIPK1 (0.37) SLC6A2SLC6A4ALDH1A1KMT2AKDM4E
SCHEMBL6077676 0.90 RIPK1 (0.37) SLC6A2SLC6A4ALDH1A1KMT2AKDM4E
SCHEMBL6078853 0.86 SLC6A4 (0.36) SLC6A2SLC6A4P2RX7SLC6A3
SCHEMBL6878066 0.86 SLC6A4 (0.36) SLC6A2SLC6A4P2RX7SLC6A3
SCHEMBL6076301 0.86 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL6077533 0.86 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL6078685 0.85 DDR1 (0.31) ALDH1A1TSHR
SCHEMBL6078684 0.85 DDR1 (0.31) ALDH1A1TSHR
SCHEMBL6077795 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6890942-B2 Acyl sulfonamides as inhibitors of HIV integrase BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-10 US disclosed
US-20050004232-A1 Acyl sulfonamides as inhibitors of HIV integrase BRISTOL-MYERS SQUIBB COMPANY 2005-01-06 US disclosed
WO-2004103278-A2 ACYL SULFONAMIDES AS INHIBITORS OF HIV INTEGRASE BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-02 WO disclosed
US-6777440-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US disclosed
US-20030176495-A1 HIV Integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-18 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-20050004232-A1 Acyl sulfonamides as inhibitors of HIV integrase ACSS2, ARSA, ASS1 SLC6A2 3628/4885SLC6A4 3732/4885MAPT 3792/4885
US-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 SLC6A2 575/4885SLC6A4 2091/4885MAPT 1/4885

“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.