SCHEMBL438263

SCHEMBL438263

O=S(=O)(F)C(F)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.40
FAAH O00519 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
ELANE P08246 1/20 0.39
PRTN3 P24158 1/20 0.39
PRSS3 P35030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2C19 P33261 1/20 0.38
CYP2D6 P10635 1/20 0.37
DPP4 P27487 2/20 0.36
F2 P00734 1/20 0.36
TSHR P16473 1/20 0.36
HTR6 P50406 1/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL4130950 0.82 SRC (0.41) SRCALDH1A1CYP2C19CYP2D6DPP4
SCHEMBL5555050 0.78 SRC (0.39) SRCALDH1A1CYP2C19CYP2D6DPP4
SCHEMBL3633092 0.78 ALDH1A1 (0.42) SRCALDH1A1CYP2C19CYP2D6DPP4
SCHEMBL5555043 0.78 SRC (0.39) SRCALDH1A1CYP2C19CYP2D6DPP4
SCHEMBL9006009 0.78 CA1 (0.42) SRCALDH1A1DPP4F2
SCHEMBL669211 0.78 SRC (0.54) SRCALDH1A1CYP2C19CYP2D6TSHR
SCHEMBL1858357 0.77 SRC (0.41) SRCFAAHPRSS1PRSS2ELANE
SCHEMBL8520306 0.77 CYP2C19 (0.48) SRCFAAHPRSS1PRSS2ELANE
SCHEMBL16058363 0.75 APOBEC3G (0.40) SRCALDH1A1CYP2C19CYP2D6LMNA
SCHEMBL3083627 0.73 ALDH1A1 (0.41) SRCFAAHPRSS1PRSS2ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9684001-B2 Biomarkers for head-and-neck cancers and precancers RALHAN RANJU (CA) 2017-06-20 US disclosed
EP-2949790-A1 BIOMARKERS FOR HEAD-AND-NECK CANCERS AND PRECANCERS Ralhan, Ranju (CA) 2015-12-02 EP disclosed
EP-2252729-B1 BIOMARKERS FOR HEAD-AND-NECK CANCERS AND PRECANCERS RALHAN RANJU (CA) 2015-05-27 EP disclosed
US-20150057169-A1 Biomarkers for Head-and-Neck Cancers and Precancers SIU, K.W. MICHAEL (CA) 2015-02-26 US disclosed
US-8921053-B2 Biomarkers for head-and-neck cancers and precancers WALFISH, PAUL (CA) 2014-12-30 US disclosed
US-20140080138-A1 Biomarkers for Head-and-Neck Cancers and Precancers RALHAN RANJU (CA) 2014-03-20 US disclosed
US-8420794-B2 Anti-influenza M2e antibody LOS ALAMOS NATIONAL SECURITY, LLC (US) 2013-04-16 US disclosed
US-20120064085-A1 ANTI-INFLUENZA M2e ANTIBODY LOS ALAMOS NATIONAL SECURITY, LLC 2012-03-15 US disclosed
US-20110104062-A1 Biomarkers for Head-And-Neck Cancers and Precancers Siu, K. W. Michael (CA) 2011-05-05 US disclosed
EP-2252729-A1 BIOMARKERS FOR HEAD-AND-NECK CANCERS AND PRECANCERS Siu, Michael K. W. (CA) 2010-11-24 EP disclosed
WO-2009097692-A1 BIOMARKERS FOR HEAD-AND-NECK CANCERS AND PRECANCERS SIU K W MICHAEL (CA) 2009-08-13 WO disclosed
EP-0116472-B1 ANTIGENIC MATERIALS COUNCIL OF GOVERNORS OF THE UNITED MEDICAL AND DENTAL SCHOOLS OF GUY'S AND ST. THOMAS'S HOSPITALS (GB) 1989-04-26 EP disclosed
US-4594244-A Antigenic materials COUNCIL OF GOVERNORS OF THE UNITED MEDICAL AND DENTAL SCHOOLS OF GUY'S AND ST. THOMAS'S HOSPITALS (GB) 1986-06-10 US disclosed
EP-0116472-A2 Antigenic materials COUNCIL OF GOVERNORS OF THE UNITED MEDICAL AND DENTAL SCHOOLS OF GUY'S AND ST. THOMAS'S HOSPITALS (GB) 1984-08-22 EP 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-20110104062-A1 Biomarkers for Head-And-Neck Cancers and Precancers CHI3L1, CCL2, LGALS3 SRC 3851/4885FAAH 4186/4885PRSS1 598/4885

“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.