SCHEMBL6901272

SCHEMBL6901272

CCOc1ccc(F)c([C@H]2C[C@H]2C(=O)O)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.42
FFAR4 Q5NUL3 6/20 0.41
KDM1A O60341 2/20 0.39
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
HTR2B P41595 3/20 0.38
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL6901277 1.00 FFAR1 (0.42) FFAR1FFAR4KDM1AHTR2AHTR2C
SCHEMBL6903831 1.00 FFAR1 (0.42) FFAR1FFAR4KDM1AHTR2AHTR2C
SCHEMBL6907447 0.82 FFAR4 (0.41) FFAR4KDM1AHTR2AHTR2CHTR2B
SCHEMBL7526567 0.80 KDM1A (0.57) KDM1AHTR2AHTR2CHTR2B
SCHEMBL7526575 0.80 KDM1A (0.57) KDM1AHTR2AHTR2CHTR2B
SCHEMBL6904145 0.75 KDM1A (0.38) KDM1AHTR2AHTR2CHTR2B
SCHEMBL8627563 0.74 KDM1A (0.39) KDM1AHTR2AHTR2CHTR2B
SCHEMBL2968880 0.73 L3MBTL1 (0.43) FFAR1FFAR4HTR2AHTR2CHTR2B
SCHEMBL28209455 0.72 KCNQ3 (0.42) KDM1A
SCHEMBL6903793 0.71 SMN1; SMN2 (0.48)

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 FFAR1 4724/4885FFAR4 4716/4885KDM1A 1796/4885

“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.