SCHEMBL2945388

SCHEMBL2945388

CN(C)Cc1cn(Cc2ccc(F)cc2F)c2cnc(C(=O)O)cc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.39
ALKBH1 Q13686 1/20 0.38
RIPK1 Q13546 1/20 0.38
ICMT O60725 2/20 0.38
FSCN1 Q16658 1/20 0.37
PPARG P37231 2/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
KCNH2 Q12809 1/20 0.36
CHRM1 P11229 1/20 0.35
GRIN2B Q13224 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
KMO O15229 1/20 0.35

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
SCHEMBL2951355 0.90 FSCN1 (0.38) PTGDR2RIPK1ICMTFSCN1PPARG
SCHEMBL4802055 0.89 FSCN1 (0.38) PTGDR2ALKBH1ICMTFSCN1PPARG
SCHEMBL2943310 0.89 HDAC1 (0.44) PTGDR2ICMTFSCN1PPARGHDAC3
SCHEMBL2949605 0.88 MET (0.39) PTGDR2ALKBH1ICMTFSCN1PPARG
SCHEMBL2943248 0.88 ALDH1A1 (0.40) PTGDR2RIPK1ICMTFSCN1GRIN2B
SCHEMBL2946795 0.87 ALKBH1 (0.41) PTGER1PTGDR2ALKBH1FSCN1PPARG
SCHEMBL2945342 0.84 PTGER1 (0.42) PTGER1PTGDR2ALKBH1FSCN1PPARG
SCHEMBL4806357 0.82 HTR6 (0.45) FSCN1
SCHEMBL4805917 0.82 PTGER1 (0.40) PTGER1PTGDR2ALKBH1FSCN1PPARG
SCHEMBL2945282 0.81 FSCN1 (0.41) PTGDR2ALKBH1RIPK1FSCN1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558611-B1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER (US) 2010-01-06 EP disclosed
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC 2008-09-11 US disclosed
US-7368571-B2 HIV-Integrase inhibitors, pharmaceutical compositions and methods for their use PFIZER INC (US) 2008-05-06 US disclosed
US-20070004768-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-7135482-B2 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-11-14 US disclosed
EP-1558611-A2 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC. (US) 2005-08-03 EP disclosed
US-20040147547-A1 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-07-29 US disclosed
WO-2004039803-A2 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC. (US) 2004-05-13 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 (3 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-20040147547-A1 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use IMPDH1, POLA1, POLB PTGER1 550/4885PTGDR2 3426/4885ALKBH1 948/4885
US-20070004768-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB PTGER1 891/4885PTGDR2 3111/4885ALKBH1 907/4885
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB PTGER1 888/4885PTGDR2 3206/4885ALKBH1 1206/4885

“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.