SCHEMBL3496507

SCHEMBL3496507

O=C1CN(S(=O)(=O)c2cn(Cc3ccc(F)cc3)c3cnc4c(=O)n(O)ccc4c23)CCN1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 1/20 0.35
▸ ALOX5AP P20292 5/20 0.35
▸ FEN1 P39748 5/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ PKM P14618 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KDM1A O60341 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL3497606 0.84 GRM2 (0.39) ALDH1A1POLB
SCHEMBL3498267 0.81 NPSR1 (0.41) ALDH1A1LMNAPKMPOLBKDM4E
SCHEMBL3497511 0.80 KMT2A (0.41) ALDH1A1LMNARXFP1POLBKDM4E
SCHEMBL3496144 0.80 RXFP1 (0.37) ALDH1A1LMNARXFP1POLBKDM4E
SCHEMBL3496741 0.79 RORC (0.37) ALOX5APFEN1ALDH1A1LMNAGAA
SCHEMBL3496896 0.77 SMN1; SMN2 (0.34) ALDH1A1LMNARXFP1POLBRAB9A
SCHEMBL3496054 0.76 CACNB4 (0.38) ALDH1A1LMNAKDM4EGAASMN1; SMN2
SCHEMBL4964868 0.76 CYP19A1 (0.39) ALDH1A1LMNAPOLBKDM4EMAPT
SCHEMBL4965332 0.76 CACNB4 (0.46) ALDH1A1LMNAPOLBKDM4E
SCHEMBL3495940 0.74 MEN1 (0.43) ALDH1A1LMNAPOLBMAPTTP53

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US claimed
EP-1751157-B1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER (US) 2007-10-03 — — EP claimed
EP-1751157-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2007-02-14 — — EP claimed
US-20050277661-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC. 2005-12-15 — — US claimed
WO-2005103051-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2005-11-03 — — WO claimed
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US disclosed
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US disclosed
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US disclosed
US-7692014-B2 Inhibitors of the HIV integrase enzyme PFIZER, INC. (US) 2010-04-06 — — US disclosed
US-7692014-B2 Inhibitors of the HIV integrase enzyme PFIZER, INC. (US) 2010-04-06 — — US disclosed
US-7692014-B2 Inhibitors of the HIV integrase enzyme PFIZER, INC. (US) 2010-04-06 — — US disclosed
EP-1873155-A1 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-01-02 — — EP disclosed
EP-1873155-A1 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-01-02 — — EP disclosed
EP-1751157-B1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER (US) 2007-10-03 — — EP disclosed
EP-1751157-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2007-02-14 — — EP disclosed
US-20050277661-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC. 2005-12-15 — — US disclosed
WO-2005103051-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2005-11-03 — — WO 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 (2 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-20050277661-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP TDO2 1392/4885ALOX5AP 3724/4885FEN1 131/4885
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP TDO2 1392/4885ALOX5AP 3724/4885FEN1 131/4885

“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.

Send feedback