SCHEMBL6720645

SCHEMBL6720645

O=C(O)C1=C(O)c2cc(Cc3ccccc3F)cnc2S(=O)(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.40
PTPN1 P18031 1/20 0.35
PTGES O14684 5/20 0.34
PTGS2 P35354 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NTRK1 P04629 1/20 0.34
HIF1A Q16665 2/20 0.34
HCAR3 P49019 1/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
GCK P35557 1/20 0.33
CYP11B1 P15538 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
DAO P14920 1/20 0.33
ALKBH1 Q13686 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL6720678 0.87 HCAR2 (0.40) BRS3PTPN1PTGESPTGS2ALDH1A1
SCHEMBL6720643 0.84 BRS3 (0.39) BRS3PTGESPTGS2
SCHEMBL6720681 0.77 BRS3 (0.37) BRS3PTPN1PTGS2HDAC6ALKBH1
SCHEMBL6720612 0.69 PTGES (0.41) PTGESPTGS2KDM4EALDH1A1HPGD
SCHEMBL6720684 0.68 BRS3 (0.35) BRS3
SCHEMBL27794864 0.63 VNN1 (0.50) BRS3PTPN1RARARARBRARG
SCHEMBL6720680 0.62 PTGS1 (0.39) PTPN1PTGESPTGS2KDM4EALDH1A1
SCHEMBL24230227 0.61 TSHR (0.67) PTPN1DAOALDH1A1HPGD
SCHEMBL20894099 0.60 NPC1 (0.45) BRS3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29631019 0.60 NPC1 (0.45) BRS3KDM4EALDH1A1HPGDHSD17B10

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 BRS3 4275/4885PTPN1 3810/4885PTGES 3330/4885

“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.