SCHEMBL17953078

SCHEMBL17953078

Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3cccnc3O)CC2)c(C)c1C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ GAA P10253 3/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL14777810 0.85 HCRTR1 (0.53) KMT2AALDH1A1HTTKDM4ELMNA
SCHEMBL16087429 0.76 TDP1 (0.48) KMT2AALDH1A1HTTLMNAGAA
SCHEMBL28304921 0.74 ALDH1A1 (0.56) KMT2AALDH1A1HTTKDM4ELMNA
SCHEMBL14778174 0.73 GAA (0.54) KMT2AALDH1A1KDM4EGAAMAPK1
SCHEMBL13373241 0.71 L3MBTL1 (0.62) KMT2AALDH1A1HTTKDM4ELMNA
SCHEMBL14777731 0.70 KMT2A (0.55) KMT2AALDH1A1HTTKDM4ELMNA
SCHEMBL1429869 0.70 KMT2A (0.58) KMT2AALDH1A1HTTKDM4ELMNA
SCHEMBL14778164 0.70 PKLR (0.51) KMT2AALDH1A1HTTKDM4ELMNA
SCHEMBL4164590 0.68 HTT (0.54) KMT2AALDH1A1HTTKDM4ELMNA
SCHEMBL3321806 0.68 POLB (0.45) KMT2AALDH1A1KDM4ELMNAMAPK1

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-9920073-B2 Compositions useful for inhibiting HIV-1 infection and methods using same DREXEL UNIVERSITY (US) 2018-03-20 — — US disclosed
US-9920073-B2 Compositions useful for inhibiting HIV-1 infection and methods using same DREXEL UNIVERSITY (US) 2018-03-20 — — US disclosed
US-20160214998-A1 NOVEL COMPOSITIONS USEFUL FOR INHIBITING HIV-1 INFECTION AND METHODS USING SAME DREXEL UNIVERSITY (US) 2016-07-28 — — US disclosed
US-20160214998-A1 NOVEL COMPOSITIONS USEFUL FOR INHIBITING HIV-1 INFECTION AND METHODS USING SAME DREXEL UNIVERSITY (US) 2016-07-28 — — 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-20160214998-A1 NOVEL COMPOSITIONS USEFUL FOR INHIBITING HIV-1 INFECTION AND METHODS USING SAME CCL5, CCR5, CXCL10 KMT2A 3223/4885ALDH1A1 1735/4885HTT 4364/4885

“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.

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