SCHEMBL15723398

SCHEMBL15723398

C=C1CC[C@H](CC(=O)O)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ SLC6A1 P30531 2/20 0.39
▸ GABRA5 P31644 2/20 0.39
▸ GABRB2 P47870 2/20 0.39
▸ SLC6A12 P48065 2/20 0.39
▸ SLC6A11 P48066 2/20 0.39
▸ SLC6A13 Q9NSD5 2/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRR1 P24046 1/20 0.39
▸ GABRA4 P48169 1/20 0.39
▸ DGAT1 O75907 1/20 0.37
▸ ITGB3 P05106 8/20 0.36
▸ ITGA2B P08514 8/20 0.36
▸ ITGB2 P05107 1/20 0.36
▸ ITGB1 P05556 1/20 0.36
▸ ITGAV P06756 1/20 0.36
▸ ITGA5 P08648 1/20 0.36

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
SCHEMBL30659860 0.87 ALDH1A1 (0.50) ALDH1A1POLBMAPTTDP1SLC6A1
SCHEMBL14143736 0.80 ALDH1A1 (0.44) ALDH1A1POLBMAPTTDP1SLC6A1
SCHEMBL29954148 0.77 ALDH1A1 (0.58) ALDH1A1POLBMAPTTDP1SLC6A1
SCHEMBL2559145 0.77 ALDH1A1 (0.58) ALDH1A1POLBMAPTTDP1SLC6A1
SCHEMBL24397600 0.75 ALDH1A1 (0.56) ALDH1A1POLBMAPTTDP1SLC6A1
SCHEMBL13928416 0.75 ALDH1A1 (0.32) ALDH1A1POLBMAPTTDP1
Ammonia Solution, Strong SCHEMBL28014494 0.75 ALDH1A1 (0.56) ALDH1A1POLBMAPTTDP1SLC6A1
SCHEMBL31267718 0.73 — —
SCHEMBL24245188 0.72 ALDH1A1 (0.30) ALDH1A1POLBMAPTTDP1
SCHEMBL30543573 0.72 ALDH1A1 (0.53) ALDH1A1POLBMAPTTDP1SLC6A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160152614-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2016-06-02 — — US disclosed
US-20140296201-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 — — US disclosed
US-20140142119-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-22 — — 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 (3 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-20140296201-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, IRF3, ACE2 ALDH1A1 2831/4885POLB 21/4885MAPT 3275/4885
US-20160152614-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, IRF3, ACE2 ALDH1A1 2831/4885POLB 21/4885MAPT 3275/4885
US-20140142119-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, IRF3, ACE2 ALDH1A1 2831/4885POLB 21/4885MAPT 3275/4885

“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.

Send feedback