SCHEMBL6901364

SCHEMBL6901364

Nc1cccc(C2CC2C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 7/20 0.49
▸ ALDH1A1 P00352 2/20 0.47
▸ GRM2 Q14416 1/20 0.46
▸ GRM3 Q14832 1/20 0.46
▸ SLC9A1 P19634 4/20 0.46
▸ HDAC4 P56524 1/20 0.45
▸ ITGB3 P05106 1/20 0.42
▸ ITGB1 P05556 1/20 0.42
▸ ITGAV P06756 1/20 0.42
▸ ITGA2B P08514 1/20 0.42
▸ ITGB5 P18084 1/20 0.42
▸ KDM1A O60341 2/20 0.42
▸ MAOA P21397 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ PBRM1 Q86U86 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
SCHEMBL6901368 1.00 FFAR1 (0.49) FFAR1ALDH1A1GRM2GRM3SLC9A1
SCHEMBL2801393 0.81 HRH3 (0.57) FFAR1ALDH1A1SLC9A1ITGB3ITGB1
SCHEMBL2801398 0.81 HRH3 (0.57) FFAR1ALDH1A1SLC9A1ITGB3ITGB1
SCHEMBL13196796 0.81 HRH3 (0.57) FFAR1ALDH1A1SLC9A1ITGB3ITGB1
SCHEMBL30879577 0.81 SLC9A1 (0.48) ALDH1A1SLC9A1HDAC4TSHR
SCHEMBL22352965 0.81 SLC9A1 (0.48) ALDH1A1SLC9A1HDAC4TSHR
SCHEMBL24739852 0.81 AKR1C3 (0.51) FFAR1ALDH1A1SLC9A1HDAC4
SCHEMBL28669621 0.81 FFAR1 (0.50) FFAR1ALDH1A1SLC9A1HDAC4
SCHEMBL4775489 0.81 FFAR1 (0.50) FFAR1ALDH1A1SLC9A1HDAC4
SCHEMBL28678691 0.81 FFAR1 (0.50) FFAR1ALDH1A1SLC9A1HDAC4

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 4724/4885ALDH1A1 2484/4885GRM2 4336/4885

“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.

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