SCHEMBL5357329

SCHEMBL5357329

CCC(CC#N)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
MMP2 P08253 1/20 0.41
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KIF11 P52732 4/20 0.39
NAMPT P43490 2/20 0.39
HDAC1 Q13547 1/20 0.38
JAK2 O60674 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
SCHEMBL5129528 1.00 CA12 (0.41) CA12CA1MMP2ALDH1A1SMN1; SMN2
SCHEMBL5766910 0.85 CA1 (0.49) CA12CA1MMP2ALDH1A1SMN1; SMN2
SCHEMBL1259895 0.81 CA1 (0.41) CA12CA1MMP2ALDH1A1KIF11
SCHEMBL5424944 0.79 CCNT1 (0.50) CA12CA1MMP2SMN1; SMN2KIF11
SCHEMBL29245415 0.79 ESR1 (0.44) CA12CA1MMP2ALDH1A1SMN1; SMN2
SCHEMBL5359412 0.79 CCNT1 (0.50) CA12CA1MMP2SMN1; SMN2KIF11
SCHEMBL1734546 0.74 CA12 (0.46) CA12CA1MMP2ALDH1A1L3MBTL1
SCHEMBL14509044 0.74 CA12 (0.46) CA12CA1MMP2ALDH1A1KIF11
SCHEMBL1734544 0.74 CA12 (0.46) CA12CA1MMP2ALDH1A1L3MBTL1
SCHEMBL1937094 0.73 KIF11 (0.45) CA12CA1MMP2KIF11HDAC1

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
CN-119118998-A Preparation method of CETP inhibitor Obicetrapib (AMG-899) 上海相辉医药科技有限公司 2024-12-13 CN claimed
CN-119118998-A Preparation method of CETP inhibitor Obicetrapib (AMG-899) 上海相辉医药科技有限公司 2024-12-13 CN disclosed
CN-100357265-C Compounds useful as intermediates of 4-aminoquinoline deravative PFIZER PROD INC (US) 2007-12-26 CN disclosed
CN-1972927-A Compounds and methods for treating dyslipidemia LILLY CO ELI (US) 2007-05-30 CN disclosed
US-7223859-B2 Method for producing (R)-3-[4-(trifluoromethyl) phenylamino]-pentanoic acid amide derivative PFIZER INC. (US) 2007-05-29 US disclosed
US-7223870-B2 Methods for preparing N-arylated oxazolidinones via a copper catalyzed cross coupling reaction PFIZER INC. (US) 2007-05-29 US disclosed
US-20070049759-A1 Methods for Preparing N-Arylated Oxazolidinones Via A Copper Catalyzed Cross Coupling PFIZER INC 2007-03-01 US disclosed
CN-1297541-C Method for preparing CETP inhibitors PFIZER PROD INC (US) 2007-01-31 CN disclosed
CN-1267411-C Compounds useful as intermediates for 4-aminoquinoline derivatives PFIZER PROD INC (US) 2006-08-02 CN disclosed
EP-1604975-A1 PROCESSES FOR PRODUCTION OF (R)-3- 4-(TRIFLUOROMETHYL)- PHEN YLAMINO PENTANAMIDE DERIVATIVES KANEKA CORPORATION (JP) 2005-12-14 EP disclosed
CN-1680292-A Compounds useful as intermediates of 4-aminoquinoline deravative PFIZER PROD INC (US) 2005-10-12 CN disclosed
EP-1562916-A1 METHODS FOR PREPARING N-ARYLATED OXAZOLIDINONES VIA A COPPER CATALYZED CROSS COUPLING REACTION Pfizer Products Inc. (US) 2005-08-17 EP disclosed
US-20040199005-A1 Method for producing (R) -3- [4- (trifluoromethyl) phenylamino] -pentanoic acid amide derivative KANEKA CORPORATION (JP) 2004-10-07 US disclosed
CN-1529696-A Method for preparing CETP inhibitors �Ʒ� 2004-09-15 CN disclosed
US-20040122226-A1 Methods for preparing N-arylated oxazolidinones via a copper catalyzed cross coupling reaction PFIZER INC 2004-06-24 US disclosed
CN-1505609-A Compounds useful as intermediates for 4-aminoquinoline derivatives �Ʒ� 2004-06-16 CN disclosed
WO-2004039788-A1 METHODS FOR PREPARING N-ARYLATED OXAZOLIDINONES VIA A COPPER CATALYZED CROSS COUPLING REACTION PFIZER PRODUCTS 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-20040199005-A1 Method for producing (R) -3- [4- (trifluoromethyl) phenylamino] -pentanoic acid amide derivative CETP, PCTP, MTTP CA12 3484/4885CA1 2155/4885MMP2 1518/4885
US-20070049759-A1 Methods for Preparing N-Arylated Oxazolidinones Via A Copper Catalyzed Cross Coupling AOC2, SOD1, AOC3 CA12 3784/4885CA1 2745/4885MMP2 3235/4885
US-20040122226-A1 Methods for preparing N-arylated oxazolidinones via a copper catalyzed cross coupling reaction AOC2, SOD1, AOC3 CA12 3714/4885CA1 2874/4885MMP2 3348/4885

“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.