SCHEMBL4947044

SCHEMBL4947044

CC(C)(C)C(CCCN1c2ccc(F)cc2NS1(O)O)NC(=O)O

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
C3AR1 Q16581 1/20 0.30
FAAH O00519 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
MAPK1 P28482 1/20 0.30
MTOR P42345 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL4945116 0.77 CCKBR (0.36) CNR1CNR2
SCHEMBL4945952 0.77 CCKBR (0.36) CNR1CNR2
SCHEMBL4059753 0.77 RAB9A (0.35) CNR1CNR2RAB9A
SCHEMBL4945945 0.75 SLC6A2 (0.46)
SCHEMBL4945107 0.75 SLC6A2 (0.46)
SCHEMBL4059747 0.75 ATM (0.32)
SCHEMBL4944198 0.67 SLC6A2 (0.36)
SCHEMBL4944257 0.67 CCKBR (0.36) CYP3A4CYP2D6
SCHEMBL4947267 0.67 SLC6A2 (0.37)
SCHEMBL4943820 0.67 SLC6A2 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 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 (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-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 CNR1 399/4885CNR2 196/4885C3AR1 1702/4885

“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.