SCHEMBL4172897

SCHEMBL4172897

CONC(=O)c1cc2c(S(=O)(=O)NCCN3CCOCC3)cn(Cc3ccc(F)cc3F)c2cn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.41
PIK3R1 P27986 5/20 0.41
PIK3CD O00329 4/20 0.41
PIK3CB P42338 4/20 0.41
PIK3CG P48736 4/20 0.41
CNR2 P34972 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CSF1R P07333 1/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 3/20 0.38
PKM P14618 1/20 0.38
MTOR P42345 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4175473 0.91 PIK3CD (0.39) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL4806235 0.80 HTR6 (0.42) ALDH1A1
SCHEMBL4808337 0.80 LMNA (0.40) CNR2SMN1; SMN2TSHR
SCHEMBL4904705 0.79 MET (0.41)
SCHEMBL2946889 0.79 FSCN1 (0.42)
SCHEMBL4175452 0.77 ALOX5AP (0.37)
SCHEMBL4809762 0.77 MOK (0.41) SMN1; SMN2ALDH1A1
SCHEMBL4166906 0.77 L3MBTL1 (0.46) CNR2SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL2949605 0.76 MET (0.39)
SCHEMBL13778782 0.76 KCNH2 (0.46) PIK3CACNR2SMN1; SMN2TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US claimed
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US disclosed
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US disclosed
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US disclosed
WO-2007039802-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-12 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 (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-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, IMPA1, TYMP PIK3CA 180/4885PIK3R1 804/4885PIK3CD 491/4885

“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.