SCHEMBL6907447

SCHEMBL6907447

CCOc1ccc(Cl)c([C@H]2C[C@H]2C(=O)O)c1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.41
HTR2C P28335 9/20 0.41
HTR2A P28223 8/20 0.41
HTR2B P41595 5/20 0.40
LARS1 Q9P2J5 2/20 0.38
KDM1A O60341 2/20 0.36
RORC P51449 1/20 0.36
F11 P03951 1/20 0.35
KLKB1 P03952 1/20 0.35
POLB P06746 1/20 0.35
GRK2 P25098 1/20 0.35
CASP6 P55212 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35

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
SCHEMBL6904152 0.88 CA12 (0.41) HTR2CHTR2AHTR2BLARS1KDM1A
SCHEMBL6901277 0.82 FFAR1 (0.42) FFAR4HTR2CHTR2AHTR2BKDM1A
SCHEMBL6901272 0.82 FFAR1 (0.42) FFAR4HTR2CHTR2AHTR2BKDM1A
SCHEMBL6903831 0.82 FFAR1 (0.42) FFAR4HTR2CHTR2AHTR2BKDM1A
SCHEMBL6906205 0.80 KDM1A (0.54) HTR2CHTR2AHTR2BLARS1KDM1A
SCHEMBL8630599 0.74 LARS1 (0.40) HTR2CHTR2AHTR2BLARS1KDM1A
SCHEMBL2968880 0.73 L3MBTL1 (0.43) FFAR4HTR2CHTR2AHTR2BPOLB
SCHEMBL1208094 0.72 HTR2C (0.55) FFAR4HTR2CHTR2AHTR2B
SCHEMBL4406981 0.72 RORC (0.41) RORCPOLB
SCHEMBL2957111 0.72 PTGDR2 (0.47) FFAR4HTR2CHTR2AHTR2BPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116418-A1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 2004-06-17 US disclosed
US-20020132794-A1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB 2002-09-19 US disclosed
US-6376492-B1 GUANIDINE DERIVATIVES MEDIVIR AB (SE) 2002-04-23 US disclosed
US-5849769-A N-arylalkyl-N-heteroarylurea and guandine compounds and methods of treating HIV infection MEDIVIR AB (SE) 1998-12-15 US disclosed
EP-0706514-B1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1998-11-18 EP disclosed
EP-0706514-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1996-04-17 EP disclosed
WO-1995006034-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1995-03-02 WO 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-20020132794-A1 Compounds and methods for inhibition of HIV and related viruses POLRMT, POLM, POLR1E FFAR4 4716/4885HTR2C 4429/4885HTR2A 4634/4885

“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.