Sugi Predict

Sugi Predict / Compounds / SCHEMBL6722113

SCHEMBL6722113

SCHEMBL6722113

Nc1ccc(C(=O)C2=C(O)C(=O)N(c3ncc(S(=O)(=O)c4ccccc4)s3)C2c2cccc(Cl)c2)c(N2CCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.47
▸ MAP3K5 Q99683 6/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ RXFP1 Q9HBX9 3/20 0.38
▸ PPARG P37231 2/20 0.38
▸ NCOR2 Q9Y618 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ USP2 O75604 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CCR1 P32246 1/20 0.35
▸ RIPK1 Q13546 1/20 0.33
▸ F9 P00740 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ NCOA2 Q15596 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
SCHEMBL6721986 0.91 PTGES (0.47) PTGESMAP3K5KMT2AALDH1A1KDM4E
SCHEMBL6721955 0.91 PTGES (0.47) PTGESMAP3K5KMT2AALDH1A1KDM4E
SCHEMBL6721785 0.88 PTGES (0.51) PTGESMAP3K5KMT2AALDH1A1KDM4E
SCHEMBL6722044 0.88 PTGES (0.49) PTGESMAP3K5KMT2AALDH1A1KDM4E
SCHEMBL6721966 0.87 PTGES (0.48) PTGESMAP3K5KMT2AALDH1A1KDM4E
SCHEMBL6721747 0.86 PTGES (0.56) PTGESMAP3K5KMT2AALDH1A1KDM4E
SCHEMBL6721890 0.82 PTGES (0.52) PTGESMAP3K5KMT2AALDH1A1KDM4E
SCHEMBL6721838 0.82 PTGES (0.52) PTGESMAP3K5KMT2AALDH1A1KDM4E
SCHEMBL6721764 0.81 PTGES (0.58) PTGESMAP3K5KMT2AALDH1A1KDM4E
SCHEMBL6721844 0.81 PTGES (0.56) PTGESMAP3K5KMT2AALDH1A1KDM4E

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 PTGES 3330/4885MAP3K5 1819/4885KMT2A 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.