SCHEMBL3496896

SCHEMBL3496896

O=c1c2ncc3c(c(S(=O)(=O)NCC(F)(F)F)cn3Cc3ccc(F)cc3)c2ccn1O

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.34
▸ LMNA P02545 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ THRB P10828 1/20 0.32
▸ POLB P06746 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ TP53 P04637 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ PTGDR2 Q9Y5Y4 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL3497511 0.91 KMT2A (0.41) SMN1; SMN2LMNAALDH1A1GAAMAPT
SCHEMBL3496144 0.82 RXFP1 (0.37) SMN1; SMN2LMNAALDH1A1GAAMAPT
SCHEMBL3495640 0.82 IDO1 (0.38) SMN1; SMN2LMNAALDH1A1MAPTKMT2A
SCHEMBL3496518 0.80 MGAM (0.47) ALDH1A1MAPT
SCHEMBL4964868 0.78 CYP19A1 (0.39) SMN1; SMN2LMNAALDH1A1MAPTKMT2A
SCHEMBL3496507 0.77 TDO2 (0.35) SMN1; SMN2LMNAALDH1A1GAAMAPT
SCHEMBL14302885 0.77 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1MAPTKMT2ARXFP1
SCHEMBL3498272 0.76 NPC1 (0.40) SMN1; SMN2LMNAALDH1A1GAAMAPT
SCHEMBL4965568 0.75 POLB (0.39) SMN1; SMN2LMNAALDH1A1KMT2APOLB
SCHEMBL3496741 0.75 RORC (0.37) LMNAALDH1A1GAATP53HTT

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 16 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
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 SMN1; SMN2 4080/4885LMNA 3259/4885ALDH1A1 437/4885
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP SMN1; SMN2 4080/4885LMNA 3259/4885ALDH1A1 437/4885

“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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