SCHEMBL4876183

SCHEMBL4876183

CC(C)(NCC=O)C(=O)Nc1ccc(-c2nc(C(=O)O)cs2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 4/20 0.45
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTPN1 P18031 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40

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
SCHEMBL3931641 0.83 ALDH1A1 (0.61) ALDH1A1TDP1MAPTNPY1RNPY2R
SCHEMBL4876163 0.82 ALDH1A1 (0.53) ALDH1A1TDP1MAPTNPY1RNPY2R
SCHEMBL12869799 0.82 ALDH1A1 (0.53) ALDH1A1TDP1MAPTNPY1RNPY2R
SCHEMBL3931636 0.81 ALDH1A1 (0.58) ALDH1A1TDP1MAPTNPY1RNPY2R
SCHEMBL10037333 0.76 ALDH1A1 (0.64) ALDH1A1TDP1MAPTNPY1RNPY2R
SCHEMBL2025129 0.75 ALDH1A1 (0.57) ALDH1A1TDP1MAPTNPY1RNPY2R
SCHEMBL4864972 0.74 ALDH1A1 (0.46) ALDH1A1TDP1MAPTNPSR1LMNA
SCHEMBL10068461 0.73 ALDH1A1 (0.64) ALDH1A1TDP1MAPTNPY1RNPY2R
SCHEMBL3928031 0.71 ALDH1A1 (0.54) ALDH1A1TDP1MAPTNPY1RNPY2R
SCHEMBL3537771 0.71 ALDH1A1 (0.69) ALDH1A1MAPTHPGDPTPN1NPC1

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-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US claimed
EP-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 EP claimed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US claimed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 WO claimed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. 2008-02-21 US disclosed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 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-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS EIF2AK2, ZC3HAV1, MAVS ALDH1A1 2784/4885TDP1 1504/4885MAPT 3146/4885
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 ALDH1A1 1627/4885TDP1 2016/4885MAPT 2534/4885
US-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 ALDH1A1 1357/4885TDP1 1009/4885MAPT 4372/4885

“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.