SCHEMBL6722982

SCHEMBL6722982

O=C(O)c1cncc(C(=O)NCc2ccc(C(F)(F)F)cc2)c1O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 2/20 0.62
KDM1A O60341 2/20 0.51
HDAC1 Q13547 2/20 0.51
ASPH Q12797 2/20 0.49
KDM8 Q8N371 2/20 0.49
KDM4E B2RXH2 1/20 0.49
RIOX2 Q8IUF8 1/20 0.49
MAPK14 Q16539 1/20 0.49
LSS P48449 1/20 0.48
APEX1 P27695 1/20 0.48
PPARA Q07869 7/20 0.47
PPARG P37231 2/20 0.46
EPHX2 P34913 1/20 0.46
NAMPT P43490 1/20 0.46
MTOR P42345 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
PPARD Q03181 1/20 0.46

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
SCHEMBL6722952 0.85 SORT1 (0.60) SORT1KDM1AHDAC1MAPK14LSS
SCHEMBL6722951 0.85 KMT2A (0.63) KDM4EAPEX1CYP1A2CYP2C19KMT2A
SCHEMBL6722818 0.83 HPGD (0.52) KDM4EAPEX1CYP1A2CYP2C19KMT2A
SCHEMBL55687 0.80 SORT1 (0.66) SORT1ASPHKDM8MAPK14LSS
SCHEMBL6723067 0.80 RAB9A (0.55) KDM1AHDAC1KDM4ECYP1A2CYP2C19
SCHEMBL15903272 0.77 SORT1 (0.90) SORT1ASPHKDM8APEX1PPARA
SCHEMBL15903271 0.77 SORT1 (1.00) SORT1NAMPT
SCHEMBL26625301 0.76 SORT1 (0.54) SORT1KDM1AHDAC1MAPK14LSS
SCHEMBL1270495 0.75 SORT1 (0.60) SORT1ASPHKDM8MAPK14LSS
SCHEMBL1568311 0.75 L3MBTL1 (0.74) SORT1KDM1AHDAC1MAPK14LSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183236-B2 Compounds with HIV-1 integrase inhibitory activity and use thereof as anti-HIV/AIDS therapeutics UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-05-22 US disclosed
US-8183236-B2 Compounds with HIV-1 integrase inhibitory activity and use thereof as anti-HIV/AIDS therapeutics UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-05-22 US disclosed
US-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-02 US disclosed
US-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-02 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 (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-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS TYMP, IMPDH1, SAMHD1 SORT1 3903/4885KDM1A 959/4885HDAC1 451/4885

“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.