SCHEMBL6906686

SCHEMBL6906686

C#Cc1cccc([C@H]2C[C@H]2C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.56
HTR2C P28335 1/20 0.52
HTR2B P41595 1/20 0.52
FABP7 O15540 1/20 0.45
FABP5 Q01469 1/20 0.45
HRH3 Q9Y5N1 1/20 0.43
HDAC4 P56524 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SLC9A1 P19634 3/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C1 Q04828 1/20 0.39
GPR88 Q9GZN0 1/20 0.39

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
SCHEMBL6906683 1.00 FFAR1 (0.56) FFAR1HTR2CHTR2BFABP7FABP5
SCHEMBL7106442 0.84 HRH3 (0.57) FFAR1HRH3HDAC4ALDH1A1GPR88
SCHEMBL6170154 0.84 HRH3 (0.57) FFAR1HRH3HDAC4ALDH1A1GPR88
SCHEMBL6161764 0.84 HRH3 (0.57) FFAR1HRH3HDAC4ALDH1A1GPR88
SCHEMBL1551639 0.80 FFAR1 (0.68) FFAR1HDAC4ALDH1A1SLC9A1
SCHEMBL25169879 0.77 FFAR1 (0.50) FFAR1HTR2CHTR2BHDAC4ALDH1A1
SCHEMBL29302377 0.77 AKR1C3 (0.51) FFAR1HRH3HDAC4ALDH1A1SLC9A1
SCHEMBL28678691 0.77 FFAR1 (0.50) FFAR1HTR2CHTR2BHDAC4ALDH1A1
SCHEMBL28669621 0.77 FFAR1 (0.50) FFAR1HTR2CHTR2BHDAC4ALDH1A1
SCHEMBL24739852 0.77 AKR1C3 (0.51) FFAR1HRH3HDAC4ALDH1A1SLC9A1

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 4724/4885HTR2C 4429/4885HTR2B 4418/4885

“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.