SCHEMBL4793354

SCHEMBL4793354

Cc1ccc(S(=O)(=O)OCCCc2ccc(F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.52
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
ALDH1A1 P00352 6/20 0.43
KMT2A Q03164 2/20 0.43
PAX8 Q06710 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
PSMD10 O75832 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
TAS2R14 Q9NYV8 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL18934371 0.92 ALDH1A1 (0.47) FKBP1AALDH1A1KMT2ACA1CA2
SCHEMBL2567795 0.92 ALDH1A1 (0.47) FKBP1AALDH1A1KMT2ACA1CA2
SCHEMBL5351657 0.91 CA1 (0.51) FKBP1ABCHEACHEEGFRERBB2
SCHEMBL18926560 0.88 GAA (0.50) FKBP1ABCHEACHEALDH1A1KMT2A
SCHEMBL18926554 0.87 CA2 (0.53) FFAR1FFAR4ALDH1A1KMT2ACA1
SCHEMBL7723972 0.85 CNR2 (0.54) FKBP1ABCHEACHEEGFRERBB2
SCHEMBL7028389 0.85 CNR2 (0.50) FKBP1ABCHEACHEALDH1A1CA1
SCHEMBL8780852 0.84 FKBP1A (0.53) FKBP1ABCHEACHEEGFRALDH1A1
SCHEMBL13649253 0.84 ENPP1 (0.52) FKBP1AALDH1A1KMT2ACA1CA2
SCHEMBL8780822 0.83 ALDH1A1 (0.44) FKBP1AALDH1A1PSMD10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682105-A4 N-UREIDOALKYL-AMINO COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2008-12-24 EP disclosed
US-7291744-B2 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
US-7291744-B2 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
US-7291744-B2 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
EP-1682105-A2 N-UREIDOALKYL-AMINO COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-26 EP disclosed
US-20050153970-A1 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-07-14 US disclosed
WO-2005048932-A2 N-UREIDOALKYL-AMINO COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-02 WO disclosed
US-6468998-B1 ANTAGONIZE SEROTONIN 2 RECEPTORS, SUPPRESS PLATELET AGGREGATION, IMPROVE PERIPHERAL CIRCULATION AND PROMOTE LACHRYMATION MITSUBISHI PHARMA CORPORATION (JP) 2002-10-22 US disclosed
EP-1125922-A1 PYRROLIDINE COMPOUNDS AND MEDICINAL UTILIZATION THEREOF Welfide Corporation (JP) 2001-08-22 EP disclosed
EP-0025192-B1 SUBSTITUTED OXIRANE CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1983-05-11 EP disclosed
US-4324796-A HYPOGLYCEMIC AGENTS, HYPOKETONEMIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-04-13 US disclosed
EP-0025192-A2 Substituted oxirane carboxylic acids, process for their preparation, their use and medicines containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1981-03-18 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-20050153970-A1 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity ACKR3, CCL11, GPR17 FKBP1A 2459/4885BCHE 1936/4885ACHE 3660/4885

“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.