SCHEMBL9607792

SCHEMBL9607792

Nc1ncnc2c1ncn2C1OC(COC(=O)c2ccc(S(=O)(=O)F)cc2)[C@@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 1.00
PNP P00491 1/20 0.71
GSK3A P49840 2/20 0.70
RPS6KA3 P51812 2/20 0.70
MAPK14 Q16539 2/20 0.70
HSPA2 P54652 2/20 0.69
EGFR P00533 2/20 0.67
ABL1 P00519 1/20 0.62
ABL2 P42684 1/20 0.62
ADORA1 P30542 2/20 0.61
ADORA3 P0DMS8 1/20 0.61
ADORA2A P29274 1/20 0.61
ADORA2B P29275 1/20 0.61
TAS1R3 Q7RTX0 2/20 0.59
TAS1R1 Q7RTX1 2/20 0.59
DNPH1 O43598 1/20 0.59
PRKAB2 O43741 1/20 0.59
TRPM2 O94759 1/20 0.59
LDHA P00338 1/20 0.59
ADRB2 P07550 1/20 0.59

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
SCHEMBL9605293 1.00 ABCB1 (1.00) ABCB1PNPGSK3ARPS6KA3MAPK14
SCHEMBL611618 1.00 ABCB1 (1.00) ABCB1PNPGSK3ARPS6KA3MAPK14
SCHEMBL4629734 1.00 ABCB1 (1.00) ABCB1PNPGSK3ARPS6KA3MAPK14
Hydrochloric Acid SCHEMBL19666771 0.99 ABCB1 (0.98) ABCB1PNPGSK3ARPS6KA3MAPK14
SCHEMBL1271978 0.92 ABCB1 (0.85) ABCB1PNPGSK3ARPS6KA3MAPK14
SCHEMBL5738576 0.90 ABCB1 (0.82) ABCB1PNPGSK3ARPS6KA3MAPK14
SCHEMBL441535 0.87 ABCB1 (0.77) ABCB1GSK3ARPS6KA3MAPK14ADORA1
SCHEMBL11644877 0.87 ABCB1 (0.77) ABCB1GSK3ARPS6KA3MAPK14ADORA1
SCHEMBL14471384 0.87 ABCB1 (0.77) ABCB1GSK3ARPS6KA3MAPK14EGFR
SCHEMBL1272109 0.87 ABCB1 (0.77) ABCB1PNPGSK3ARPS6KA3MAPK14

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-20120135092-A1 INHIBITORS OF RecA ACTIVITIES FOR CONTROL OF ANTIBIOTIC-RESISTANT BACTERIAL PATHOGENS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL, THE 2012-05-31 US disclosed
US-20100292135-A1 INHIBITORS OF RecA ACTIVITIES FOR CONTROL OF ANTIBIOTIC-RESISTANT BACTERIAL PATHOGENS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-11-18 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-20100292135-A1 INHIBITORS OF RecA ACTIVITIES FOR CONTROL OF ANTIBIOTIC-RESISTANT BACTERIAL PATHOGENS RECQL, DNA2, WRN ABCB1 2131/4885PNP 28/4885GSK3A 1741/4885
US-20120135092-A1 INHIBITORS OF RecA ACTIVITIES FOR CONTROL OF ANTIBIOTIC-RESISTANT BACTERIAL PATHOGENS RECQL, WRN, ADAR ABCB1 2517/4885PNP 15/4885GSK3A 1865/4885

“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.