SCHEMBL6722952

SCHEMBL6722952

O=C(O)c1cccc(C(=O)NCc2ccc(C(F)(F)F)cc2)c1O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 2/20 0.60
APEX1 P27695 1/20 0.59
KMT2A Q03164 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAPK14 Q16539 1/20 0.55
LSS P48449 1/20 0.51
PPARA Q07869 6/20 0.50
MTTP P55157 1/20 0.50
PPARG P37231 2/20 0.49
EPHX2 P34913 1/20 0.49
MTOR P42345 1/20 0.49
PPARD Q03181 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
KDM1A O60341 1/20 0.47
HDAC1 Q13547 1/20 0.47

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
SCHEMBL26625301 0.87 SORT1 (0.54) SORT1APEX1MAPK14LSSPPARA
SCHEMBL6722982 0.85 SORT1 (0.62) SORT1APEX1KMT2ACYP1A2CYP2C19
SCHEMBL6722874 0.84 KMT2A (0.78) APEX1KMT2ACYP1A2CYP2C19
SCHEMBL6720193 0.84 KMT2A (0.77) APEX1KMT2ACYP1A2CYP2C19
SCHEMBL8404892 0.83 NPC1 (0.62) SORT1APEX1KMT2ACYP1A2CYP2C19
SCHEMBL55687 0.83 SORT1 (0.66) SORT1APEX1KMT2ACYP1A2CYP2C19
SCHEMBL6722933 0.81 APEX1 (0.64) APEX1KMT2ACYP1A2CYP2C19
SCHEMBL2481864 0.81 MAPK14 (0.50) SORT1APEX1MAPK14LSSPPARA
SCHEMBL5574721 0.80 P2RX7 (0.57) SORT1KMT2ACYP1A2CYP2C19MAPK14
SCHEMBL2634030 0.79 MAPK14 (0.76) MAPK14LSSPPARAPPARGEPHX2

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 3903/4885APEX1 807/4885KMT2A 1477/4885

“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.