SCHEMBL3554105

SCHEMBL3554105

O=C(O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cc([N+](=O)[O-])ccc1Br

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.51
MMP1 P03956 2/20 0.43
PIN1 Q13526 2/20 0.43
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
P2RX1 P51575 1/20 0.41
TMPRSS4 Q9NRS4 1/20 0.41
GPBAR1 Q8TDU6 4/20 0.40
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
TACR1 P25103 1/20 0.39
CTSB P07858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4566252 0.87 CETP (0.66) CETP
SCHEMBL3556844 0.82 CETP (0.48) CETPGPBAR1TACR1
SCHEMBL3551009 0.77 CETP (0.86) CETP
SCHEMBL3559178 0.76 PIN1 (0.45) CETPMMP1PIN1P2RX1TMPRSS4
SCHEMBL3557843 0.74 CETP (0.50) CETPGPBAR1TACR1
SCHEMBL18186333 0.72 ALDH1A1 (0.46) CRHBPCRHR2FAAHMGLLL3MBTL1
SCHEMBL27404738 0.71 P2RX1 (0.40) CETPMMP1PIN1MMP2MMP9
SCHEMBL11542075 0.71 CRHBP (0.68) MMP1MMP2MMP9MMP8MMP13
SCHEMBL3551798 0.71 CETP (0.49) CETPGPBAR1TACR1
SCHEMBL3729583 0.69 CETP (0.64) CETP

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-1737811-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-08-10 EP disclosed
US-8193365-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-06-05 US disclosed
US-20100249024-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-09-30 US disclosed
US-7737295-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2010-06-15 US disclosed
EP-1737811-A4 CETP INHIBITORS MERCK & CO INC (US) 2009-06-17 EP disclosed
US-20070225365-A1 Cetp Inhibitors MERCK & CO., INC. (US) 2007-09-27 US disclosed
EP-1737811-A1 CETP INHIBITORS Merck & Co., Inc. (US) 2007-01-03 EP disclosed
WO-2005100298-A1 CETP INHIBITORS MERCK & CO., INC. (US) 2005-10-27 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-20070225365-A1 Cetp Inhibitors CETP, APOB, NPC1 CETP 1/4885MMP1 3027/4885PIN1 3138/4885
US-20100249024-A1 CETP INHIBITORS CETP, APOB, NPC1 CETP 1/4885MMP1 3027/4885PIN1 3138/4885

“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.