SCHEMBL6720488

SCHEMBL6720488

COc1nc2occ(C(=O)O)c(=O)c2cc1Cc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GPR55 Q9Y2T6 3/20 0.39
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.39
GRM2 Q14416 1/20 0.36
SLC16A3 O15427 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP17A1 P05093 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL6720456 0.76 MAOB (0.38) KMT2AMEN1SLC16A3MAOA
SCHEMBL6720446 0.70 MAOB (0.51) KMT2AMEN1CYP17A1CYP19A1CYP11B1
SCHEMBL6720550 0.68 MAOB (0.43) KMT2AMEN1SLC16A3CYP17A1CYP19A1
SCHEMBL6720608 0.67 MEN1 (0.36) KMT2AMEN1NPC1RAB9AMAOA
SCHEMBL6720342 0.66 GPR55 (0.53) KMT2AMEN1GPR55CNR2CNR1
SCHEMBL6720467 0.65 MAOB (0.39) KMT2AMEN1SLC16A3CYP17A1CYP19A1
SCHEMBL6720393 0.65 MAOB (0.54) KMT2ANPC1RAB9ASMN1; SMN2MAOA
SCHEMBL6720538 0.65 MAOB (0.38) KMT2ASLC16A3CYP17A1CYP19A1CYP11B1
SCHEMBL13255544 0.65 GRM2 (0.43) GPR55CNR2CNR1GRM2
SCHEMBL6720566 0.64 MAOB (0.37) KMT2AMEN1NPC1RAB9AMAOA

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 KMT2A 1477/4885MEN1 4601/4885GPR55 3338/4885

“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.